Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.NCCCCNCCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F

InChIKey

InChIKey=VVWSTKPEFFKZSR-UHFFFAOYSA-N

Formula

C13H18F9N3O4

Mass

451.29

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic nitrogen compounds

Class

Organonitrogen compounds

Subclass

Nitrogen mustard compounds

Intermediate Tree Nodes

Not available

Direct Parent

Nitrogen mustard compounds

Alternative Parents

Molecular Framework

Not available

Substituents

Nitrogen mustard - Carboxylic acid imide, n-substituted - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carboxylic acid imide - Dicarboximide - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organofluoride - Primary aliphatic amine - Primary amine - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Amine - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound

Description

This compound belongs to the class of organic compounds known as nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a nitrogen atom.

External Descriptors

Not available

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