Compound Identification
SMILES
COC(=O)C(\C#N)=C1/CCC(NC2=CC=CC(=C2)C(F)(F)F)N1C
InChIKey
InChIKey=MWUANIGCVSNLIN-OUKQBFOZSA-N
Formula
C16H16F3N3O2
Mass
339.318
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
Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines N-alkylpyrrolidines Vinylogous amides Methyl esters Enoate esters Amino acids and derivatives Azacyclic compounds Nitriles Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organopnictogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - N-alkylpyrrolidine - Pyrrolidine - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Secondary amine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Organic oxide - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Amine - Organic nitrogen compound - 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