Basic information
- CAS
590-05-6- Standard SMILES
CCCCCCC(=O)CF- InChIKey
ULGQTMJOCRMHRB-UHFFFAOYSA-N- Molecular formula
- C8H15FO
- Average molar mass
- 146.2 g/mol
- Monoisotopic mass
- 146.11069326
Names & identifiers
- Preferred name
- 2-Octanone, 1-fluoro-
- IUPAC
- 1-fluorooctan-2-one
- English name
- Fluoromethylhexyl ketone
- Molecular formula
- C8H15FO
- Molecular weight
- 146.2
Names & synonyms
2-OCTANONE, 1-FLUORO-1-Fluoro-2-octanone590-05-6BRN 1747174DTXSID402077334-01-00-03341 (Beilstein Handbook Reference)RefChem:264490DTXCID901302241-fluorooctan-2-oneSCHEMBL5486448SCHEMBL9222135Fluoromethylhexyl ketone
Database identifiers
- CAS
590-05-6- PubChem CID
- 11531
- DTXSID
DTXSID40207733- Nikkaji
- J42.524I
Properties
Computed structural properties
- XLogP
- 2.7
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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