Compound Identification
SMILES
CC(O)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=HXXPMABBUNQAQR-RIAYWLAYSA-N
Formula
C31H44F3N5O5
Mass
623.718
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 N-alkylpiperazines Aminopiperidines Aralkylamines Alpha hydroxy acids and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Secondary alcohols Amino acids and derivatives Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides
Molecular Framework
Not available
Substituents
Trifluoromethylbenzene - N-acyl-piperidine - Pyrimidine-5-carboxylic acid or derivatives - 4-aminopiperidine - N-alkylpiperazine - Aralkylamine - Alpha-hydroxy acid - Piperazine - Piperidine - Pyrimidine - Hydroxy acid - 1,4-diazinane - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Azacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxygen compound - Organic oxide - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen 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