Compound Identification
SMILES
OC(=O)\C=C\C(O)=O.CC(C)(C)NCC(O)COC1=C(C=CC(=C1)C(F)(F)F)C#CC1=CC=CC=C1
InChIKey
InChIKey=HWBDRYSWHSAJMA-WLHGVMLRSA-N
Formula
C26H28F3NO6
Mass
507.506
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
Phenoxy compounds Phenol ethers Alkyl aryl ethers Unsaturated fatty acids Dicarboxylic acids and derivatives Secondary alcohols 1,2-aminoalcohols Dialkylamines Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Not available
Substituents
Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fatty acyl - Fatty acid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - 1,2-aminoalcohol - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Secondary aliphatic amine - Ether - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Alcohol - 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