Basic information
- CAS
592-92-7- Standard SMILES
CC(=O)CCCCCCF- InChIKey
YEKQSDXITOWYPL-UHFFFAOYSA-N- Molecular formula
- C8H15FO
- Average molar mass
- 146.2 g/mol
- Monoisotopic mass
- 146.11069326
Names & identifiers
- Preferred name
- 2-Octanone, 8-fluoro-
- IUPAC
- 8-fluorooctan-2-one
- English name
- 6-Fluorohexyl(methyl) ketone
- Molecular formula
- C8H15FO
- Molecular weight
- 146.2
Names & synonyms
8-fluorooctan-2-one2-OCTANONE, 8-FLUORO-592-92-78-Fluoro-2-octanoneBRN 1747140DTXSID502079416-Fluorohexyl(methyl) ketone
Database identifiers
- CAS
592-92-7- PubChem CID
- 11619
- DTXSID
DTXSID50207941- Nikkaji
- J34.614D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 91.3
Physicochemical properties
- Boiling point
- 87 · 87-88 °C(Press: 11 Torr)
- Density
- 0.896 · 0.896±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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