Compound Identification
SMILES
CN1C2CCC1[C@H]1[C@H](C3=CC=CC=C3C(F)(F)F)C(C#N)(C#N)C(N)=C(C#N)C1=C2
InChIKey
InChIKey=SYKMGGBOPDTRLO-FOLHBFKUSA-N
Formula
C22H18F3N5
Mass
409.416
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
Aralkylamines N-alkylpyrrolidines Trialkylamines Nitriles Enamines Azacyclic compounds Organopnictogen compounds Organofluorides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Aralkylamine - N-alkylpyrrolidine - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Enamine - Carbonitrile - Nitrile - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Primary aliphatic amine - Organopnictogen compound - Cyanide - Hydrocarbon derivative - Alkyl fluoride - 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