Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Trifluoromethylbenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Trifluoromethylbenzenes

Alternative Parents

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

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