Basic information
- CAS
327189-51-5- Standard SMILES
CCOC(=O)CCCCC(=O)c1ccc(F)cc1- InChIKey
NCJFYIZGCBLMAJ-UHFFFAOYSA-N- Molecular formula
- C14H17FO3
- Average molar mass
- 252.28 g/mol
- Monoisotopic mass
- 252.11617262
Names & identifiers
- Preferred name
- Ethyl-6-(4-fluorophenyl)-6-oxohexanoate
- IUPAC
- ethyl 6-(4-fluorophenyl)-6-oxohexanoate
- English name
- Ethyl-6-(4-fluorophenyl)-6-oxohexanoate
- Molecular formula
- C14H17FO3
- Molecular weight
- 252.28
Names & synonyms
327189-51-5ETHYL-6-(4-FLUOROPHENYL)-6-OXOHEXANOATEethyl 6-(4-fluorophenyl)-6-oxohexanoateMFCD01311596SCHEMBL1360326DTXSID90592565NCJFYIZGCBLMAJ-UHFFFAOYSA-NAKOS016023101ethyl 6-(4-fluorophenyl)-6-oxo-hexanoateDB-265051F207656Benzenehexanoic acid, 4-fluoro-ε-oxo-, ethyl ester
Database identifiers
- CAS
327189-51-5- PubChem CID
- 18174682
- DTXSID
DTXSID90592565
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Boiling point
- 349.5 · 349.5±22.0 °C(Predicted)
- Density
- 1.107 · 1.107±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
Related reactions
6 records
Compound notes
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