Basic information
- CAS
406-23-5- Standard SMILES
C=CCOC(=O)CF- InChIKey
KPJCWOXNYPYSPJ-UHFFFAOYSA-N- Molecular formula
- C5H7FO2
- Average molar mass
- 118.11 g/mol
- Monoisotopic mass
- 118.04300762
Names & identifiers
- Preferred name
- Acetic acid, fluoro-, allyl ester
- IUPAC
- prop-2-enyl 2-fluoroacetate
- English name
- Fluoroacetic acid allyl ester
- Molecular formula
- C5H7FO2
- Molecular weight
- 118.11
Names & synonyms
406-23-5ACETIC ACID, FLUORO-, ALLYL ESTERRefChem:1075811Allyl fluoroacetateFluoroacetic acid allyl esterAllylester kyseliny fluoroctove [Czech]BRN 1746996Allylester kyseliny fluoroctove4-02-00-00452 (Beilstein Handbook Reference)Prop-2-en-1-yl fluoroacetateSCHEMBL5963027DTXSID80961009
Show more names
Acetic acid, 2-fluoro-, 2-propen-1-yl ester
fluoroacetic acid, 2-propenyl ester
Database identifiers
- CAS
406-23-5- PubChem CID
- 9842
- DTXSID
DTXSID80961009- Nikkaji
- J54.215F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 90.4
Experimental & physicochemical properties
SpringerMaterials Properties19F nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 129.55 °C · 129.55°C (rough estimate)
- Density
- 1.1135 · 1.1135 (estimate)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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