Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1

InChIKey

InChIKey=ROVHTOVAQFKCFJ-UHFFFAOYSA-N

Formula

C17H10F17NO2

Mass

583.245

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organohalogen compounds

Class

Alkyl halides

Subclass

Alkyl fluorides

Intermediate Tree Nodes

Perfluoroalkyl carboxylic acid and derivatives

Direct Parent

Perfluorooctanoic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Perfluorooctanoic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - N-acyl-amine - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organonitrogen compound - Organofluoride - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as perfluorooctanoic acid and derivatives. These are organic compounds containing an octyl chain attached to the C-alpha of a carboxylic acid group (or a derivative thereof), where all hydrogens of the octyl chain are replaced by fluorine atoms.

External Descriptors

Not available

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