Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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