Basic information
- Standard SMILES
COC(=O)C(F)(CO)C(=O)OC- InChIKey
JOWPHNRURQGHOK-UHFFFAOYSA-N- Molecular formula
- C6H9FO5
- Average molar mass
- 180.13 g/mol
Names & identifiers
- Preferred name
- Dimethyl alpha-hydroxymethyl-alpha-fluoromalonate
- IUPAC
- dimethyl 2-fluoro-2-(hydroxymethyl)propanedioate
Names & synonyms
107843-23-2SCHEMBL9418923JOWPHNRURQGHOK-UHFFFAOYSA-NDB-407210dimethyl a-hydroxymethyl-alpha-fluoromalonatedimethyl alpha-hydroxymethyl-alpha-fluoromalonatedimethyl alpha -hydroxymethyl-alpha-fluoromalonate1,3-Dimethyl 2-fluoro-2-(hydroxymethyl)propanedioate
Database identifiers
- PubChem CID
- 10910147
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Related reactions
6 records
Compound notes
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