Compound Identification
SMILES
CC(=O)C1=C(C)[NH+]=C(NC2=CC=CC(=C2)C(F)(F)F)S1
InChIKey
InChIKey=HWAVCZVGPDXBNN-UHFFFAOYSA-O
Formula
C13H12F3N2OS
Mass
301.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Aryl alkyl ketones Aniline and substituted anilines 2,4,5-trisubstituted thiazoles 2-amino-1,3-thiazoles Vinylogous amides Heteroaromatic compounds Secondary amines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - 2,4,5-trisubstituted 1,3-thiazole - Aryl ketone - Aryl alkyl ketone - Aniline or substituted anilines - 1,3-thiazol-2-amine - Azole - Thiazole - Heteroaromatic compound - Vinylogous amide - Ketone - Azacycle - Secondary amine - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors
Not available