Basic information
- CAS
406-06-4- Standard SMILES
CC(C)OC(=O)CF- InChIKey
HERCSPPGAAQXBN-UHFFFAOYSA-N- Molecular formula
- C5H9FO2
- Average molar mass
- 120.12 g/mol
- Monoisotopic mass
- 120.05865769
Names & identifiers
- Preferred name
- Acetic acid, fluoro-, isopropyl ester
- IUPAC
- propan-2-yl 2-fluoroacetate
- English name
- Fluoroacetic acid isopropyl ester
- Molecular weight
- 0
Names & synonyms
406-06-4ACETIC ACID, FLUORO-, ISOPROPYL ESTERDTXSID60193604RefChem:1075812DTXCID60116095Isopropyl fluoroacetateTL 630BRN 1744814propan-2-yl fluoroacetateSCHEMBL24083543fluoroacetic acid, 1-methylethyl esterFluoroacetic acid isopropyl ester
Database identifiers
- CAS
406-06-4- PubChem CID
- 9839
- DTXSID
DTXSID60193604- Nikkaji
- J55.318B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.5
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 121.44 °C · 121.44°C (rough estimate)
- FDA UNII
- 2 XLF86GPO6 · 2XLF86GPO6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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