Structure Information
Structure

Compound Identification

SMILES

Cl.NC1=NC(NC[C@H]2CCCN2CC2=C(F)C=C(C=C2)C(F)(F)F)=NC2=NC(=NN12)C1=CC=CO1

InChIKey

InChIKey=MFWUNSFHXGVCEB-PFEQFJNWSA-N

Formula

C21H21ClF4N8O

Mass

512.9

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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 heteropolycyclic compounds

Substituents

Trifluoromethylbenzene - 2,4-diamine-s-triazine - Benzylamine - Phenylmethylamine - Amino-1,3,5-triazine - Aminotriazine - Fluorobenzene - Halobenzene - Aralkylamine - N-aliphatic s-triazine - Aryl fluoride - Aryl halide - 1,3,5-triazine - N-alkylpyrrolidine - Triazine - Heteroaromatic compound - Azole - Furan - Pyrrolidine - 1,2,4-triazole - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Oxacycle - Azacycle - Organic oxygen compound - Hydrochloride - Amine - Organohalogen compound - Organofluoride - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Primary amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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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