perfluoroheptanoic acid

Synonyms: "perfluoro-n-heptanoic acid", "perfluoroheptanoic acid", "tridecafluoroheptanoic acid", "perfluoroenanthic acid", "tridecafluoro-1-heptanoic acid"

Source: perfluoroheptanoic acid is a perfluorinated chemical (PFC). PFCs are fully fluorinated man-made chemicals with properties that make them useful in different industrial and household applications.

Identifiers:

IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid
CAS Number: 375-85-9
PubChem ID: 67818
InChiKey: ZWBAMYVPMDSJGQ-UHFFFAOYSA-N
Canonical SMILES: C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O

Structural Properties:

Molecular Formula: C7HF13O2
Molecular Weight: 364.061

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 22

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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
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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.

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2D-structure

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3D-structure

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