Structure Information
Structure

Compound Identification

SMILES

[Na+].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=BPRZZEJIIBGGQY-RIAYWLAYSA-N

Formula

C28H38F3N5NaO2

Mass

556.629

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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

Aromatic heteromonocyclic compounds

Substituents

Trifluoromethylbenzene - N-acyl-piperidine - Pyrimidine-5-carboxylic acid or derivatives - 4-aminopiperidine - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Piperidine - Pyrimidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organic metal halide - Organic alkali metal salt - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organofluoride - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Alkyl halide - Organic nitrogen compound - Amine - Organic cation - 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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