Basic information
- CAS
502-36-3- Standard SMILES
CCOC(=O)CC(=O)CCCCCCF- InChIKey
LDELXTRDOWVUFX-UHFFFAOYSA-N- Molecular formula
- C11H19FO3
- Average molar mass
- 218.26 g/mol
- Monoisotopic mass
- 218.13182263
Names & identifiers
- Preferred name
- Ethyl 9-fluoro-3-oxononanoate
- IUPAC
- ethyl 9-fluoro-3-oxononanoate
- English name
- 9-Fluoro-3-oxononanoic acid ethyl ester
- Molecular formula
- C11H19FO3
- Molecular weight
- 218.27
Names & synonyms
Ethyl 9-fluoro-3-oxononanoate502-36-3DTXSID80964530RefChem:1085016DTXCID901392225BRN 1780792Ethyl omega-fluoro-3-oxononanoateNONANOIC ACID, 9-FLUORO-3-OXO-, ETHYL ESTER4-03-00-01627 (Beilstein Handbook Reference)9-Fluoro-3-oxononanoic acid ethyl ester
Database identifiers
- CAS
502-36-3- PubChem CID
- 10397
- DTXSID
DTXSID80964530- Nikkaji
- J83.667B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 122 °C · 122 °C(Press: 1.7 Torr)
- Density
- 1.009 · 1.009±0.06 g/cm3(Predicted)
- pka
- 10.66 · 10.66±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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