Dimethyl (2R)-2-fluorobutanedioate
Basic information
- CAS
76003-45-7- Standard SMILES
COC(=O)C[C@@H](F)C(=O)OC- InChIKey
PXKPHERWNIYQNN-SCSAIBSYSA-N- Molecular formula
- C6H9FO4
- Average molar mass
- 164.13 g/mol
- Monoisotopic mass
- 164.04848693
Names & identifiers
- Preferred name
- Dimethyl (2R)-2-fluorobutanedioate
- IUPAC
- dimethyl (2R)-2-fluorobutanedioate
- English name
- Butanedioic acid, fluoro-, dimethyl ester, (R)- (9CI)
- Molecular formula
- C6H9FO4
- Molecular weight
- 164.1316632
Names & synonyms
76003-45-7Dimethyl (2R)-2-fluorobutanedioateDTXSID90503833RefChem:338376DTXCID80454643Dimethyl (2R)-2-fluorosuccinateButanedioic acid, fluoro-, dimethyl ester, (R)- (9CI)
Database identifiers
- CAS
76003-45-7- PubChem CID
- 12596259
- DTXSID
DTXSID90503833
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
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Compound notes
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