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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
- Subclass Nitrogen mustard compounds
-
Class
Organonitrogen compounds
-
Superclass
Organic nitrogen compounds
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
N-substituted carboxylic acid imides Dicarboximides Alpha-halocarboxylic acids Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
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