Compound Identification
SMILES
CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1.CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1
InChIKey
InChIKey=MFPWAIURTBEXAI-UHFFFAOYSA-N
Formula
C39H49F3N2O4
Mass
666.826
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 Aralkylamines Tertiary alcohols Trialkylamines Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Carbonyl compounds Aromatic alcohols Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides
Molecular Framework
Not available
Substituents
Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Ether - Monocarboxylic acid or derivatives - Alcohol - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - 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