Compound Identification
SMILES
OC1=CC(=O)\C(C=C1Cl)=C1/NNC=C1C(=O)NCC1=CC(=CC=C1)C(F)(F)F
InChIKey
InChIKey=PRAIILRDJFGXJR-WJDWOHSUSA-N
Formula
C18H13ClF3N3O3
Mass
411.77
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
O-quinomethanes Vinylogous amides Vinylogous acids Pyrazolines Secondary carboxylic acid amides Vinyl chlorides Enols Chloroalkenes Azacyclic compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Hydrazines and derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - O-quinomethane - Quinomethane - Pyrazoline - Vinylogous acid - Vinylogous amide - Carboxamide group - Ketone - Secondary carboxylic acid amide - Cyclic ketone - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Enol - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Hydrazine derivative - Organooxygen compound - Organic oxygen compound - Alkyl fluoride - Organic oxide - Carbonyl group - 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