Compound Identification
SMILES
CC(=O)OCC1=CC=C(CN2CCCN(CC2)C(=O)C2=CC(=CC(Cl)=C2F)C(F)(F)F)O1
InChIKey
InChIKey=GXPULAQDWPAMMH-UHFFFAOYSA-N
Formula
C21H21ClF4N2O4
Mass
476.85
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
2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Benzamides Benzoyl derivatives 1,4-diazepanes Aralkylamines Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Heteroaromatic compounds Furans Tertiary carboxylic acid amides Vinylogous halides Amino acids and derivatives Trialkylamines Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Organochlorides Alkyl fluorides Organofluorides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - 1,4-diazepane - Chlorobenzene - Aralkylamine - Diazepane - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Furan - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Amine - Alkyl fluoride - Alkyl halide - Carbonyl group - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organofluoride - 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