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: 364,0609

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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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

CTD (Comparative Toxicogenomics Database)

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.

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Keywords


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