Description: List consists of all DTXSID records with a structure assigned, and where the structure satisfies a set of filter conditions that are designed to broadly identify PFAS (per- and polyfluorinated substances). The filter conditions listed below are designed to be simple, reproducible and transparent, yet general enough to encompass the largest set of structures having sufficient levels of fluorination to potentially impart PFAS-type properties. Some structures contained in other published DSSTox PFAS lists (e.g., PFASOECD) will not satisfy these criteria (e.g., chemicals with large organic moieties and small fluoroethyl side chains), and over 1000 structures from the larger DSSTox inventory are included that have not previously been assigned to a published “PFAS” list. 1) Formula must contain 4 -1000 Fluorine atoms; 2) Structure must contain two adjacent CF2 groups, either in a chain or in a ring system; 3) Fluorine to Carbon ratio (#F/#C) = or > 0.5; 4) Remove Markush structures, charged species (e.g., anions), radicals, and deuterium- and C13-labeled chemicals (LIST DEFINITION AS OF March 2018).
Number of Chemicals: 4357