Perfluorooctane

Synonyms: Perfluorooctane, "n-Perfluorooctane", "octadecafluoro-n-octane", "Eftop EF-L 100", "n-perfluoro octane", "perfluoro-n-octane", "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Octadecafluorooctane"

Source: Perfluorooctane is a solvent.

Identifiers:

IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane
CAS Number: 307-34-6
PubChem ID: 9387
InChiKey: YVBBRRALBYAZBM-UHFFFAOYSA-N
Canonical SMILES: C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F

Structural Properties:

Molecular Formula: C₈F₁₈
Molecular Weight: 438,060

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 18
Number of atoms different from hydrogen: 26

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
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3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Emerging Contaminant

Loos, R., Tavazzi, S., Mariani, G., Suurkuusk, G., Paracchini, B., & Umlauf, G. (2017). Analysis of emerging organic contaminants in water, fish and suspended particulate matter (SPM) in the Joint Danube Survey using solid-phase extraction followed by UHPLC-MS-MS and GC?MS analysis. Science of the Total Environment, 607, 1201-1212.

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