perfluorooctanoic acid

Synonyms: "pentadecafluorooctanoic acid", "perfluorocaprylic acid", "pentadecafluoro-1-octanoic acid", "PFOA"

Source: perfluorooctanoic acid is used in the manufacturing of several stain resistant products including teflon.


IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid
CAS Number: 335-67-1
PubChem ID: 9554
Canonical SMILES: C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O

Structural Properties:

Molecular Formula: C8HF15O2
Molecular Weight: 414,0684

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 25


2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)

CTD (Comparative Toxicogenomics Database)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Wei Y, Liu Y, Wang J, Tao Y, Dai J. 2008. Toxicogenomic analysis of the hepatic effects of perfluorooctanoic acid on rare minnows (Gobiocypris rarus). Toxicol Appl Pharmacol 226(3):285-297.

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