Compound Identification
SMILES
OC(=O)\C=C\C(O)=O.COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)C1=C(C)N=CN=C1C)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=GXINKQQWHLIBJA-CPBVOBJASA-N
Formula
C32H42F3N5O6
Mass
649.712
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
Pyrimidinecarboxylic acids and derivatives N-acylpiperidines Aminopiperidines N-alkylpiperazines Aralkylamines Unsaturated fatty acids Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Carboxylic acids Dialkyl ethers Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organofluorides Organic oxides
Molecular Framework
Not available
Substituents
Trifluoromethylbenzene - Pyrimidine-5-carboxylic acid or derivatives - N-acyl-piperidine - 4-aminopiperidine - N-alkylpiperazine - Aralkylamine - Piperazine - Piperidine - Pyrimidine - Unsaturated fatty acid - 1,4-diazinane - Fatty acid - Dicarboxylic acid or derivatives - Fatty acyl - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Azacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Alkyl halide - Alkyl fluoride - Organic oxide - Carbonyl group - 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