Basic information
- CAS
333-69-7- Standard SMILES
O=C(CCCCCF)CCCCCCF- InChIKey
KWUADAXPLHYOGY-UHFFFAOYSA-N- Molecular formula
- C12H22F2O
- Average molar mass
- 220.3 g/mol
- Monoisotopic mass
- 220.16387165
Names & identifiers
- Preferred name
- 6-Dodecanone, 1,12-difluoro-
- IUPAC
- 1,12-difluorododecan-6-one
- English name
- 1,12-Difluoro-6-dodecanone
- Molecular formula
- C12H22F2O
- Molecular weight
- 220.3
Names & synonyms
333-69-76-DODECANONE, 1,12-DIFLUORO-DTXSID50186924RefChem:1073903DTXCID901094151,12-difluorododecan-6-one1,12-Difluoro-6-dodecanoneBRN 1772383
Database identifiers
- CAS
333-69-7- PubChem CID
- 9531
- DTXSID
DTXSID50186924- Nikkaji
- J91.210G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 136 · 136-136.5 °C(Press: 4 Torr)
- Density
- 0.938 · 0.938±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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