Compound Identification
SMILES
FC(F)(F)C(F)(F)C(F)(F)C(=O)OC[C@H](CCl)OC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
InChIKey=CMOMMHMIJKSOSW-VKHMYHEASA-N
Formula
C11H5ClF14O4
Mass
502.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acid esters
-
Level 5
Chloropropanol esters
- Level 6 3-MCPD diesters
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Level 5
Chloropropanol esters
-
Subclass
Fatty acid esters
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acid esters
Intermediate Tree Nodes
Chloropropanol esters
Direct Parent
3-MCPD diesters
Alternative Parents
Perfluoroalkyl carboxylic acid and derivatives Dicarboxylic acids and derivatives Alpha-halocarboxylic acid derivatives Carboxylic acid esters Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
3-mcpd-diester - Perfluoroalkyl carboxylic acid or derivatives - Dicarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxygen compound - Carbonyl group - Alkyl chloride - Alkyl halide - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as 3-mcpd diesters. These are compounds containing a 3-monochloropropane-1,2-diol skeleton that is esterified at the C1 and C3 terminal carbon atoms.
External Descriptors
Not available