Dodecanoic acid, 12-fluoro-3-oxo-, ethyl ester
Basic information
- CAS
352-82-9- Standard SMILES
CCOC(=O)CC(=O)CCCCCCCCCF- InChIKey
UZOZIAHFAROPOU-UHFFFAOYSA-N- Molecular formula
- C14H25FO3
- Average molar mass
- 260.34 g/mol
- Monoisotopic mass
- 260.17877282
Names & identifiers
- Preferred name
- Dodecanoic acid, 12-fluoro-3-oxo-, ethyl ester
- IUPAC
- ethyl 12-fluoro-3-oxododecanoate
Names & synonyms
Ethyl 12-fluoro-3-oxododecanoateBRN 1787655Ethyl omega-fluoro-3-oxododecanoateDODECANOIC ACID, 12-FLUORO-3-OXO-, ETHYL ESTER352-82-9DTXSID901887004-03-00-01665 (Beilstein Handbook Reference)RefChem:339472DTXCID10111191
Database identifiers
- CAS
352-82-9- PubChem CID
- 9607
- DTXSID
DTXSID90188700- Nikkaji
- J42.969D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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