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.

Identifiers:

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
InChiKey: SNGREZUHAYWORS-UHFFFAOYSA-N
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: 414.068

Pharmacophore Features:

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

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

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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.