Basic information
- CAS
78948-09-1- Standard SMILES
CC(=O)OF- InChIKey
QWLICVXJMVMDDQ-UHFFFAOYSA-N- Molecular formula
- C2H3FO2
- Average molar mass
- 78.04 g/mol
- Monoisotopic mass
- 78.01170756
Overview
selective fluorinating agent; used with 18F for synthesis of 2-(18F)fluorodeoxy-D-glucose; structure given in first source
Names & identifiers
- Preferred name
- Acetyl hypofluorite
- IUPAC
- fluoro acetate
- English name
- acetyl hypofluorite
- Molecular formula
- C2H3FO2
- Molecular weight
- 78.04
Names & synonyms
Acetyl hypofluorite78948-09-1DTXSID70229403RefChem:109059DTXCID50151894fluoro acetateCH3COOF1-(fluorooxy)-1-oxoethaneSCHEMBL454137QWLICVXJMVMDDQ-UHFFFAOYSA-NAcetic acid, anhydride with hypofluorous acidAcetic acid, anhydride with hypofluorous acid (9CI)
Database identifiers
- CAS
78948-09-1- PubChem CID
- 127602
- DTXSID
DTXSID70229403- Nikkaji
- J456.236D
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 42.9
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -96 °C · -96 °C
- Boiling point
- 19.9 · 19.9±23.0 °C(Predicted)
- Density
- 1.107 · 1.107±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
9 records
Compound notes
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