Compound Identification
SMILES
COC1=CC=C(CCN2C(=O)C[C@H](SC2=NC2=CC=CC(=C2)C(F)(F)F)C(=O)NC2=CC=CC(C)=C2)C=C1
InChIKey
InChIKey=KWDNBJDUJQLZBM-DEOSSOPVSA-N
Formula
C28H26F3N3O3S
Mass
541.59
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
Anilides Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Toluenes Alkyl aryl ethers Thiazinanes Isothioureas Secondary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Anilide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Toluene - 1,3-thiazinane - Carboxamide group - Isothiourea - Secondary carboxylic acid amide - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Alkyl halide - 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