perfluorotridecanoic acid

Synonyms: "perfluorotridecanoic acid", "pentacosafluorotridecanoic acid", "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecanoic acid".

Source: perfluorotridecanoic acid is a member of a class of perfluorinated alkanoic acids commonly used as lubricants, plasticizers, wetting agents and corrosion, as well as emulsifiers and surfactants in fluoropolymer manufacturing.

Identifiers:

IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecanoic acid
CAS Number: 72629-94-8
PubChem ID: 3018355
InChiKey: LVDGGZAZAYHXEY-UHFFFAOYSA-N
Canonical SMILES: C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O

Structural Properties:

Molecular Formula: C₁₃HF₂₅O₂
Molecular Weight: 664.109

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 27
Number of atoms different from hydrogen: 40

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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

Ji K, Kim S, Kho Y, Paek D, Sakong J, Ha J, Kim S and Choi K. 2012. Serum concentrations of major perfluorinated compounds among the general population in Korea: dietary sources and potential impact on thyroid hormones. Environ Int 45:78-85. DOI: 10.1016/j.envint.2012.03.007. URL: https://www.ncbi.nlm.nih.gov/pubmed/22580293.
Kim S, Choi K, Ji K, Seo J, Kho Y, Park J, Kim S, Park S, Hwang I, Jeon J and Yang H. 2011. Trans-placental transfer of thirteen perfluorinated compounds and relations with fetal thyroid hormones. Environ Sci Technol 45(17):7465-7472. DOI: 10.1021/es202408a. URL: https://www.ncbi.nlm.nih.gov/pubmed/21805959.
Ren XM, Qin WP, Cao LY, Zhang J, Yang Y, Wan B and Guo LH. 2016. Binding interactions of perfluoroalkyl substances with thyroid hormone transport proteins and potential toxicological implications. Toxicology 366:32-42. DOI: 10.1016/j.tox.2016.08.011. URL: https://www.ncbi.nlm.nih.gov/pubmed/27528273.