Compound Identification
SMILES
CCOC1=C(C=C(C=C1)C1=NC(C#N)=C2N=CN(CCO)C2=N1)C(F)(F)F
InChIKey
InChIKey=QHQDWAPRBHWGKK-UHFFFAOYSA-N
Formula
C17H14F3N5O2
Mass
377.327
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 Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyrimidines and pyrimidine derivatives N-substituted imidazoles Heteroaromatic compounds Nitriles Azacyclic compounds Alkanolamines Primary alcohols Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Imidazopyrimidine - Purine - Phenoxy compound - Phenol ether - Alkyl aryl ether - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Alkanolamine - Ether - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Alcohol - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary alcohol - 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