Perfluorobutanoic acid

Synonyms: "perfluorobutyric acid", "heptafluorobutyric acid", "heptafluorobutanoic acid"

Source: perfluorobutanoic acid is a perfluoroalkyl acid (PFCA). PFCAs are detected ubiquitously in various environmental matrices in urban areas and in regions as remote as the Arctic.

Identifiers:

IUPAC Name: 2,2,3,3,4,4,4-heptafluorobutanoic acid
CAS Number: 375-22-4
PubChem ID: 9777
InChiKey: YPJUNDFVDDCYIH-UHFFFAOYSA-N
Canonical SMILES: C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O

Structural Properties:

Molecular Formula: C₄HF₇O₂
Molecular Weight: 214.038

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 13

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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

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.