Compound Identification
SMILES
CCC[N@+]1(C)C=NC2=C(N(C)C(=N2)C2=CN(CC3=CC(=CC=C3)C(F)(F)F)N=C2)C1=O
InChIKey
InChIKey=ILXMRRLZQLMFEP-SSEXGKCCSA-N
Formula
C21H22F3N6O
Mass
431.443
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
Purines and purine derivatives N-substituted imidazoles Quaternary ammonium salts Pyrazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Carboxamidines Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Imidazopyrimidine - Purine - N-substituted imidazole - Azole - Imidazole - Pyrazole - Quaternary ammonium salt - Heteroaromatic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Amidine - Organic 1,3-dipolar compound - Carboxylic acid amidine - Carboxylic acid derivative - Hydrocarbon derivative - Alkyl fluoride - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic cation - Aromatic heteropolycyclic 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