Compound Identification
SMILES
CC12CCC(C)(CC1)C(C=CC(O)CC(O)CC(O)=O)=C(C2)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=FEFOMROQYBXZSB-UHFFFAOYSA-N
Formula
C25H31F3O4
Mass
452.514
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
Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Hydroxy fatty acids Halogenated fatty acids Beta hydroxy acids and derivatives Unsaturated fatty acids Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Trifluoromethylbenzene - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Halogenated fatty acid - Hydroxy fatty acid - Hydroxy acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Alcohol - Carbonyl group - Organic oxygen compound - Organofluoride - Alkyl halide - Organohalogen compound - Aromatic homopolycyclic 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