Basic information
- CAS
649-65-0- Standard SMILES
CC(O)(CC(=O)C(F)(F)F)C(F)(F)F- InChIKey
MLQZVJWKNRVVMC-UHFFFAOYSA-N- Molecular formula
- C6H6F6O2
- Average molar mass
- 224.1 g/mol
- Monoisotopic mass
- 224.0271984
Names & identifiers
- Preferred name
- 1,1,1,5,5,5-Hexafluoro-4-hydroxy-4-methylpentan-2-one
- IUPAC
- 1,1,1,5,5,5-hexafluoro-4-hydroxy-4-methylpentan-2-one
- English name
- 1,1,1,5,5,5-HEXAFLUORO-2-HYDROXY-2-METHYLPENTAN-4-ONE
- Molecular formula
- C6H6F6O2
- Molecular weight
- 224.1
Names & synonyms
649-65-01,1,1,5,5,5-hexafluoro-4-hydroxy-4-methylpentan-2-one1,1,1,5,5,5-HEXAFLUORO-2-HYDROXY-2-METHYLPENTAN-4-ONE4-Hydroxy-4-methyl-3H,3H-perfluoropentan-2-oneSCHEMBL14357445DTXSID60663079MLQZVJWKNRVVMC-UHFFFAOYSA-NMFCD07777182MFCD07777183SBB096603AKOS0079307491,1,1,5,5,5-Hexafluoro-2-hydroxy-2-methylpentan-2-one
Show more names
2-Pentanone, 1,1,1,5,5,5-hexafluoro-4-hydroxy-4-methyl-
1,1,1,5,5,5-hexafluoro-4-hydroxy-4-methyl-pentan-2-one
Database identifiers
- CAS
649-65-0- PubChem CID
- 45075666
- DTXSID
DTXSID60663079- EC Number
- 879-586-2
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 24 · 24-25 °C
- Boiling point
- 120.5 °C · 120.5 °C
- Density
- 1.445 · 1.445±0.06 g/cm3(Predicted)
- pka
- 11.02 · 11.02±0.29(Predicted)
- HS Code
- 2914390090 · 2914390090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2914390090
Chemistry & industry
Suppliers5 total
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
中科双航化学（大连）有限公司+86-411-66858498 13941194417 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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