Structure Information
Structure

Compound Identification

SMILES

CC1=CSC(NC(=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)=N1

InChIKey

InChIKey=AWYNBBQQYQVYSX-UHFFFAOYSA-N

Formula

C13H5F17N2OS

Mass

560.23

Export to:

JSON SDF CSV

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 heteromonocyclic compounds

Substituents

Perfluorooctanoic acid or derivatives - N-arylamide - 2,4-disubstituted 1,3-thiazole - Fatty amide - Fatty acyl - Azole - Heteroaromatic compound - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic 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

Previous Back Next