Compound Identification
SMILES
COC(CNCC#N)C1=CC(=CC=C1)C(F)(F)F
InChIKey
InChIKey=NYVYCNFQWUFJFH-UHFFFAOYSA-N
Formula
C12H13F3N2O
Mass
258.244
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
Benzylethers Aralkylamines Alpha-aminonitriles Dialkylamines Dialkyl ethers Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Trifluoromethylbenzene - Benzylether - Aralkylamine - Alpha-aminonitrile - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Carbonitrile - Nitrile - Alkyl fluoride - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic 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