Basic information
- CAS
332-97-8- Standard SMILES
CCOC(=O)CCCCCCCF- InChIKey
CHPYVNWQOQDEMI-UHFFFAOYSA-N- Molecular formula
- C10H19FO2
- Average molar mass
- 190.25 g/mol
- Monoisotopic mass
- 190.13690801
Names & identifiers
- Preferred name
- Octanoic acid, 8-fluoro-, ethyl ester
- IUPAC
- ethyl 8-fluorooctanoate
- English name
- 8-Fluorooctanoic acid ethyl ester
- Molecular formula
- C10H19FO2
- Molecular weight
- 190.26
Names & synonyms
332-97-8OCTANOIC ACID, 8-FLUORO-, ETHYL ESTERDTXSID80186851RefChem:1093819DTXCID20109342Ethyl 8-fluorooctanoate8-Fluorooctanoic acid ethyl esterEthyl omega-fluorooctanoate8-fluoro-octanoic acid ethyl esterBRN 1764997ethyl-8-fluorooctanoatestarbld0046177
Show more names
SCHEMBL18919377
Database identifiers
- CAS
332-97-8- PubChem CID
- 9518
- DTXSID
DTXSID80186851- Nikkaji
- J42.519B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 191 °C · 191 °C
- Density
- 0.9651 · 0.9651 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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