2-Nonanone, 9-fluoro-
Basic information
- CAS
544-43-4- Standard SMILES
CC(=O)CCCCCCCF- InChIKey
XTJMCCGLJYOBSF-UHFFFAOYSA-N- Molecular formula
- C9H17FO
- Average molar mass
- 160.23 g/mol
- Monoisotopic mass
- 160.12634332
Names & identifiers
- Preferred name
- 2-Nonanone, 9-fluoro-
- IUPAC
- 9-fluorononan-2-one
- English name
- 9-Fluoro-2-nonanone
- Molecular formula
- C9H17FO
- Molecular weight
- 160.23
Names & synonyms
9-Fluoro-2-nonanone2-NONANONE, 9-FLUORO-BRN 1752581DTXSID602027854-01-00-03354 (Beilstein Handbook Reference)RefChem:264379DTXCID901252769-fluorononan-2-one544-43-4
Database identifiers
- CAS
544-43-4- PubChem CID
- 11003
- DTXSID
DTXSID60202785- Nikkaji
- J34.592J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 102
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Compound notes
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