Compound Identification
SMILES
CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1.CN1C2CCC1CC(C2)NC(=O)C1=CC(Cl)=CC2=C1OC(C)(C)C2
InChIKey
InChIKey=LFCSLABUIFSLMG-UHFFFAOYSA-N
Formula
C36H43ClF3N3O3
Mass
658.2
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
3-halobenzoic acids and derivatives Tropane alkaloids Coumarans Phenoxy compounds Phenol ethers Alkyl aryl ethers Aralkylamines Piperidines Aryl chlorides N-alkylpyrrolidines Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Dialkylamines Oxacyclic compounds Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Not available
Substituents
3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Trifluoromethylbenzene - Tropane alkaloid - Coumaran - Phenol ether - Phenoxy compound - Aralkylamine - Alkyl aryl ether - Aryl halide - Piperidine - N-alkylpyrrolidine - Aryl chloride - Pyrrolidine - Secondary carboxylic acid amide - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Oxacycle - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Azacycle - Organoheterocyclic compound - Secondary amine - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic 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