Basic information
- CAS
6301-95-7- Standard SMILES
CCCC(=O)C(F)(F)Cl- InChIKey
BTPQMMIQQIDQKZ-UHFFFAOYSA-N- Molecular formula
- C5H7ClF2O
- Average molar mass
- 156.56 g/mol
- Monoisotopic mass
- 156.0153489
Names & identifiers
- Preferred name
- 1-Chloro-1,1-difluoropentan-2-one
- IUPAC
- 1-chloro-1,1-difluoropentan-2-one
- English name
- 2-Pentanone, 1-chloro-1,1-difluoro-
- Molecular formula
- C5H7ClF2O
- Molecular weight
- 156.56
Names & synonyms
6301-95-71-Chloro-1,1-Difluoro-2-Pentanone1-chloro-1,1-difluoropentan-2-oneNSC42733DTXSID90978906NSC-427332-Pentanone, 1-chloro-1,1-difluoro-
Database identifiers
- CAS
6301-95-7- PubChem CID
- 238396
- DTXSID
DTXSID90978906
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 112.5 · 112.5±35.0 °C(Predicted)
- Density
- 1.199 · 1.199±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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