1,2,3-Propanetriol, 1-fluoroacetate
Basic information
- CAS
371-46-0- Standard SMILES
O=C(CF)OCC(O)CO- InChIKey
WCWJRCWJPRMTLV-UHFFFAOYSA-N- Molecular formula
- C5H9FO4
- Average molar mass
- 152.12 g/mol
- Monoisotopic mass
- 152.04848693
Names & identifiers
- Preferred name
- 1,2,3-Propanetriol, 1-fluoroacetate
- IUPAC
- 2,3-dihydroxypropyl 2-fluoroacetate
- English name
- Fluoroacetic acid 2,3-dihydroxypropyl ester
- Molecular formula
- C5H9FO4
- Molecular weight
- 152.12
Names & synonyms
371-46-01,2,3-Propanetriol, 1-fluoroacetateRefChem:10519922,3-dihydroxypropyl 2-fluoroacetateFluoromonacetinGlyceryl 1-monofluoroacetateBRN 1761909DTXSID309582672,3-Dihydroxypropyl fluoroacetateFluoroacetic acid 2,3-dihydroxypropyl esterAcetic acid, 2-fluoro-, 2,3-dihydroxypropyl ester
Database identifiers
- CAS
371-46-0- PubChem CID
- 101665
- DTXSID
DTXSID30958267- Nikkaji
- J53.881G
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 106
Physicochemical properties
- Boiling point
- 163 · 163-165 °C(Press: 2 Torr)
- Density
- 1.318 · 1.318±0.06 g/cm3(Predicted)
- pka
- 13.06 · 13.06±0.20(Predicted)
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Related reactions
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Compound notes
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