Compound Identification
SMILES
CCOC(=O)[C@@H]1[C@@H](C2=CC=CC=C2C(F)(F)F)C(C(=O)OCC)=C(C)N\C1=C/C=O
InChIKey
InChIKey=QBIHPOVEJGRBKX-GYTMMYARSA-N
Formula
C21H22F3NO5
Mass
425.404
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
Tetrahydropyridines Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Enals Amino acids and derivatives Enamines Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Tetrahydropyridine - Hydropyridine - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated aldehyde - Enal - Enoate ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Secondary aliphatic amine - Enamine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Aldehyde - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - 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