Basic information
- CAS
101931-67-3- Standard SMILES
CC(=O)CC(Cl)(C(F)(F)F)C(F)(F)F- InChIKey
RHBJHTMRXIJSIX-UHFFFAOYSA-N- Molecular formula
- C6H5ClF6O
- Average molar mass
- 242.54 g/mol
- Monoisotopic mass
- 241.9933114
Names & identifiers
- Preferred name
- 2-Pentanone, 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)-
- IUPAC
- 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)pentan-2-one
Names & synonyms
101931-67-32-Pentanone, 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)-4-Chloro-5,5,5-trifluoro-4-trifluoromethyl-2-pentanoneDTXSID20144374RefChem:264995DTXCID10668654-chloro-5,5,5-trifluoro-4-(trifluoromethyl)pentan-2-oneNSC160203NSC-160203
Database identifiers
- CAS
101931-67-3- PubChem CID
- 293552
- DTXSID
DTXSID20144374- Nikkaji
- J65.593G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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