perfluorohexanoic acid

Synonyms: "undecafluorohexanoic acid", "undecafluoro-1-hexanoic acid", "perfluorocaproic acid"

Source: perfluorohexanoic acid is a metabolite of perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS), which are used to make fluoropolymers, and in semiconductor and electronics industries, respectively.

Identifiers:

IUPAC Name: 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid
CAS Number: 307-24-4
PubChem ID: 67542
InChiKey: PXUULQAPEKKVAH-UHFFFAOYSA-N
Canonical SMILES: C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O

Structural Properties:

Molecular Formula: C₆HF₁₁O₂
Molecular Weight: 314.053

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 19

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

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

Vongphachan V, Cassone CG, Wu D, Chiu S, Crump D, Kennedy SW. 2011. Effects of perfluoroalkyl compounds on mRNA expression levels of thyroid hormone-responsive genes in primary cultures of avian neuronal cells. Toxicol Sci 120(2):392-402.

Wolf CJ, Takacs ML, Schmid JE, Lau C, Abbott BD. 2008. Activation of mouse and human peroxisome proliferator-activated receptor alpha by perfluoroalkyl acids of different functional groups and chain lengths. Toxicol Sci 106(1):162-171.