Compound Identification
SMILES
CCOC(=O)C1=C(C)N(C(=O)N(CCCN2CCN(CC2)C(=O)C2=CC=CC=C2C(=O)N2CCN(CCCN3C(C4=CC=C(C=C4)C#N)C(C(=O)OCC)=C(C)N(C3=O)C3=CC=CC(=C3)C(F)(F)F)CC2)C1C1=CC=C(C=C1)C#N)C1=CC=CC(=C1)C(F)(F)F
InChIKey
InChIKey=AEZJSPDQEZZQOD-UHFFFAOYSA-N
Formula
C66H66F6N10O8
Mass
1241.306
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
Benzamides Hydropyrimidine carboxylic acids and derivatives Benzonitriles Benzoyl derivatives Pyrimidones N-alkylpiperazines Dicarboxylic acids and derivatives Enoate esters Vinylogous amides Tertiary carboxylic acid amides Ureas Amino acids and derivatives Trialkylamines Nitriles Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Hydropyrimidine carboxylic acid derivative - Benzonitrile - Benzoyl - Pyrimidone - N-alkylpiperazine - Pyrimidine - 1,4-diazinane - Piperazine - 1,2,3,4-tetrahydropyrimidine - Dicarboxylic acid or derivatives - Hydropyrimidine - Tertiary carboxylic acid amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Urea - Tertiary aliphatic amine - Tertiary amine - Carbonitrile - Nitrile - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Amine - Alkyl fluoride - Alkyl halide - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - 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