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: 664,100

Pharmacophore Features:

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

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Evidence Supporting This Chemical as an Emerging Contaminant

Banjac, Z., Ginebreda, A., Kuzmanovic, M., Marc?, R., Nadal, M., Riera, J. M., & Barcel?, D. (2015). Emission factor estimation of ca. 160 emerging organic microcontaminants by inverse modeling in a Mediterranean river basin (Llobregat, NE Spain). Science of the Total Environment, 520, 241-252.

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