TABLE 1 |.

Number of structures (#) contained within different list definitions based on the chemicals in the CompTox Chemicals Dashboard database release (December 2021). Some of these subset lists are contained in the supplementary information files.

List Name	Structural definition	# Structures
OECD 2021 contains -CF2-	Contains aliphatic and saturated -CF2-	38,382
OECD 2021 contains -CF3	Contains aliphatic and saturated -CF3	32,940
Buck text definition	Aliphatic structures containing -CF2-	13,538
Buck moiety definition	Aliphatic structures containing -CF3	10,495
OECD focus list 2018	–CnF2n–, n ≥ 3 or –CnF2nOCmF2m–, n and m ≥ 1	5,894
TSCA 2021	R-(CF2)-C(F)(R′)R″; both CF2 and CF are saturated carbons; R, R′ or R″ cannot be H	9,389
TSCA 2021, no ions, radicals, or multicomponent structures	TSCA 2021 with ions, radicals, and multicomponent structures removed	7,950
PFASSTRUCTv3 filters	7 structures noted above	11,333
PFASSTRUCTv4 filters (no TFA)	6 structures noted above	10,776
PFASSTRUCTv4 filters (no TFA, ions, radicals, multicomponent structures)	Dashboard structures (no TFA, ions, radicals, multicomponent structures)	9,269
Alkyl Perfluorocarbons (containing C and F)	Structures containing only C and F (no double or triple bonds, no radicals)	49
Perhalocarbons (at least 2 fluorine atoms)	Structures containing at least 2 F and additionally only C, Br, CI, or I	688