Perfluorovaleric acid
Synonyms: Perfluoropentanoic acid, "Perfluorovaleric acid", "nonafluoropentanoic acid", "Nonafluorovaleric acid", "2,2,3,3,4,4,5,5,5-Nonafluoropentanoic acid", "n-Perfluoropentanoic acid", "Nonafluoro-1-pentanoic acid", "Perfluoro-n-pentanoic acid", "2,2,3,3,4,4,5,5,5-Nonafluoro-pentanoic acid"
Source: perfluorovaleric 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: 2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid
CAS Number: 2706-90-3
PubChem ID: 75921
InChiKey: CXZGQIAOTKWCDB-UHFFFAOYSA-N
Canonical SMILES: C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
Structural Properties:
Molecular Formula: C5HF9O2
Molecular Weight: 264,050
Pharmacophore Features:
Number of bond donors: 1
Number of bond acceptors: 11
Number of atoms different from hydrogen: 16
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3D structure (.sdf)
3D structure (.mol2)
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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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2D-structure
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