Basic information
- CAS
372-25-8- Standard SMILES
CC(=CC(=O)C(F)(F)F)C(F)(F)F- InChIKey
WRMWSVCCMDLQCJ-UHFFFAOYSA-N- Molecular formula
- C6H4F6O
- Average molar mass
- 206.09 g/mol
- Monoisotopic mass
- 206.01663372
Names & identifiers
- Preferred name
- 1,1,1,5,5,5-Hexafluoro-4-methyl-3-penten-2-one
- IUPAC
- 1,1,1,5,5,5-hexafluoro-4-methylpent-3-en-2-one
- English name
- 1,1,1,5,5,5-hexafluoro-4-methylpent-3-en-2-one
- Molecular formula
- C6H4F6O
- Molecular weight
- 206.09
Names & synonyms
372-25-8RefChem:2129151,1,1,5,5,5-Hexafluoro-4-methyl-3-penten-2-one1,1,1,5,5,5-Hexafluoro-4-methylpent-3-en-2-oneDTXSID0059904NS000417403-Penten-2-one, 1,1,1,5,5,5-hexafluoro-4-methyl-
Database identifiers
- CAS
372-25-8- PubChem CID
- 67792
- DTXSID
DTXSID0059904- EC Number
- 206-749-1
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Boiling point
- 93.7 · 93.7±40.0 °C(Predicted)
- Density
- 1.365 · 1.365±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 3 · 3-Penten-2-one, 1,1,1,5,5,5-hexafluoro-4-methyl- (372-25-8)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Penten-2-one, 1,1,1,5,5,5-hexafluoro-4-methyl-: INACTIVE
Suppliers2 total
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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