Success!

Failed to copy.

Fluoxetine
54910-89-3 | DTXSID7023067

Searched by Approved Name: Found 1 result for '(+/-) -Fluoxetine'.

Image not found
Wikipedia
Imgnotfound
Intrinsic Properties

Molecular Formula: C17H18F3NO

Average Mass: 309.332 g/mol

Monoisotopic Mass: 309.134049 g/mol

Structural Identifiers

IUPAC Name: N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

SMILES: CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1

InChI String: InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3

InChIKey: RTHCYVBBDHJXIQ-UHFFFAOYSA-N

Search Google for:

Structural Skeleton Full Structure

Imgnotfound

Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID7023067 (accessed July 21, 2018), Fluoxetine

Data Quality

Level 1:Expert curated, highest confidence in accuracy and consistency of unique chemical identifiers

Level 2:Expert curated, unique chemical identifiers using multiple sources

Level 3:Programmatically curated from high quality EPA source, unique chemical identifiers have no conflicts in ChemID and PubChem

Level 4:Programmatically curated from ChemID, unique chemical identifiers have no conflicts in PubChem

Level 5:Programmatically curated from ACToR or PubChem, unique chemical identifiers with low confidence, single public source

No Quality Control Notes.

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

4.05 (1)

4.05 (5)

-

4.18

4.05

3.08 to 4.65

-

Water Solubility

-

3.05e-04 (4)

-

8.16e-05

-

2.37e-05 to 1.03e-03

mol/L

Density

-

1.19 (2)

-

1.19

-

1.16 to 1.22

g/cm^3

Flash Point

-

186 (2)

-

186

-

179 to 193

°C

Melting Point

181 (1)

89.2 (4)

-

80.7

181

55.5 to 140

°C

Boiling Point

-

338 (5)

-

343

-

286 to 395

°C

Surface Tension

-

33.0 (1)

- - - -

dyn/cm

Vapor Pressure

-

7.91e-03 (4)

-

1.65e-06

-

3.98e-07 to 3.16e-02

mmHg

LogKoa: Octanol-Air

-

9.79 (1)

- - - - -

Henry's Law

-

1.44e-07 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.51 (1)

- - - - -

Molar Refractivity

-

79.9 (1)

- - - -

cm^3

Molar Volume

-

267 (1)

- - - -

cm^3

Polarizability

-

31.7 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

4.05 (1)

-

4.05

Predicted

4.05 (5)

4.18

3.08 to 4.65

Experimental

Source

Result

PhysPropNCCT

4.05

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

4.65

Not Available

Not Available

NICEATM

3.08

Not Available

Available

ACD/Labs Consensus

4.27

Not Available

Not Available

ACD/Labs

4.09

Not Available

Not Available

OPERA

4.18

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

3.05e-04 (4)

8.16e-05

2.37e-05 to 1.03e-03

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.24e-04 mol/L

Not Available

Not Available

NICEATM

1.03e-03 mol/L

Not Available

Available

OPERA

3.92e-05 mol/L

OPERA Model Report

Available

TEST

2.37e-05 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.19 (2)

1.19

1.16 to 1.22

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.16 g/cm^3

Not Available

Not Available

TEST

1.22 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

186 (2)

186

179 to 193

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

193 °C

Not Available

Not Available

TEST

179 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

181 (1)

-

181

Predicted

89.2 (4)

80.7

55.5 to 140

Experimental

Source

Result

Jean-Claude Bradley Open Melting Point Dataset

181 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

105 °C

Not Available

Not Available

NICEATM

56.2 °C

Not Available

Available

TEST

55.5 °C

TEST Report

Not Available

OPERA

140 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

338 (5)

343

286 to 395

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

347 °C

Not Available

Not Available

NICEATM

286 °C

Not Available

Available

ACD/Labs

395 °C

Not Available

Not Available

TEST

343 °C

TEST Report

Not Available

OPERA

316 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

33.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

33.0 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

7.91e-03 (4)

1.65e-06

3.98e-07 to 3.16e-02

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

3.16e-02 mmHg

Not Available

Available

ACD/Labs

1.88e-06 mmHg

Not Available

Not Available

TEST

1.43e-06 mmHg

TEST Report

Not Available

OPERA

3.98e-07 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

9.79 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.79

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

1.44e-07 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.44e-07 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.51 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.51

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

79.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

79.9 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

267 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

267 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

31.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

31.7 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

4260 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.63e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

3.55 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

6.61e-01 (1)

- - - -

days

Bioconcentration Factor

-

241 (3)

-

172

-

125 to 427

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

4260 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4260 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.63e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.63e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

3.55 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.55 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

6.61e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.61e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

241 (3)

172

125 to 427

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

427

Not Available

Available

TEST

172

TEST Report

Not Available

OPERA

125

OPERA Model Report

Available

Found 24 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Fluoxetine
N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Benzenepropanamine, N-methyl-gamma-[4-(trifluoromethyl)phenoxy]-
54910-89-3 Active CAS-RN
Benzenepropanamine, N-methyl-gamma-[4-(trifluoromethyl)phenoxy]-
(+/-)-N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propylamine
Dafori
Symbiax
N-Methyl-3-[4-(trifluoromethyl)phenoxy]-3-phenylpropanamine
Nikomed
Benzenepropanamine, N-methyl-γ-[4-(trifluoromethyl)phenoxy]-
(+) or (-)-N-Methyl-3-phenyl-3-((alpha,alpha,alpha-trifluoro-p-tolyl)oxy)propylamine
(+) or (-)-N-Methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine
Benzenepropamine, N-methyl-gamma-(4-(trifluoromethyl)phenoxy)-, (+-)-
(+-)-N-Methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine
N-Methyl-3-(p-trifluoromethylphenoxy)-3-phenylpropylamine
Pulvules
dl-3-(p-Trifluoromethylphenoxy)-N-methyl-3-phenylpropylamine
Animex-On
Fluoxetina
Fluoxetinum
UNII-01K63SUP8D FDA Registry Number
52341-67-0 Deleted CAS-RN
57226-07-0 Deleted CAS-RN
Imgnotfound
Imgnotfound
Imgnotfound
Imgnotfound

National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

7067th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

4.41e-08

4.70e-06

Ages 12-19

4.53e-08

5.12e-06

Ages 20-65

3.98e-08

3.60e-06

Ages 65+

2.28e-08

3.28e-06

BMI > 30

3.28e-08

4.32e-06

BMI < 30

4.00e-08

4.97e-06

Repro. Age Females

3.76e-08

5.60e-06

Females

3.60e-08

4.56e-06

Males

2.39e-08

4.11e-06

Total

3.67e-08

3.84e-06

Imgnotfound

PubChem Articles

Select Term:

AND

AND

Edit the Query Before Querying ()

You have hit the max of 255 characters for this query.

PubChem Patents

Loading Image

Searched with a similarity threshold of 0.8

Executive Summary

Imgnotfound