Compound Identification
SMILES
C[C@@H]1N(CO[C@]1(CN1C=NC=N1)C1=C(F)C=C(F)C=C1)C(=O)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=KMVBFZQAKGZIMA-RBZFPXEDSA-N
Formula
C21H17F5N4O2
Mass
452.385
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
Benzamides Benzoyl derivatives Fluorobenzenes Aryl fluorides Triazoles Tertiary carboxylic acid amides Oxazolidines Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organofluorides Organonitrogen compounds Organooxygen compounds Alkyl fluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Tertiary carboxylic acid amide - Oxazolidine - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - 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