Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(Cl)C(N)=NC(=N1)C1=C(F)C=C(C=C1)C(F)(F)F

InChIKey

InChIKey=BJNXOTKVFBDTIE-UHFFFAOYSA-N

Formula

C13H8ClF4N3O2

Mass

349.67

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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 - Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - Aminopyrimidine - Fluorobenzene - Halobenzene - Halopyrimidine - Aryl chloride - Aryl fluoride - Aryl halide - Imidolactam - Pyrimidine - Heteroaromatic compound - Vinylogous halide - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Primary amine - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organofluoride - 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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