Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(C=C1)N=C(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S2
InChIKey
InChIKey=VTUDLZKRNZJHEH-UHFFFAOYSA-N
Formula
C12H4F9N3O3S
Mass
441.23
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organohalogen compounds
-
Class
Alkyl halides
- Subclass Alkyl fluorides
-
Class
Alkyl halides
-
Superclass
Organohalogen compounds
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
Alkyl halides
Subclass
Alkyl fluorides
Intermediate Tree Nodes
Not available
Direct Parent
Perfluoroalkyl carboxylic acid and derivatives
Alternative Parents
Benzothiazoles N-arylamides Nitroaromatic compounds Benzenoids Fatty amides Heteroaromatic compounds Thiazoles Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Perfluoroalkyl carboxylic acid or derivatives - 1,3-benzothiazole - Nitroaromatic compound - N-arylamide - Fatty amide - Benzenoid - Fatty acyl - Azole - Thiazole - Heteroaromatic compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Carbonyl group - Organonitrogen compound - Organofluoride - Organooxygen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic zwitterion - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as perfluoroalkyl carboxylic acid and derivatives. These are organic compounds containing an alkyl chain attached to the C-alpha of a carboxylic acid group (or a derivative thereof), where all hydrogens of the alkyl chain are replaced by fluorine atoms.
External Descriptors
Not available