4,5,5,5-Tetrafluoro-4-(trifluoromethyl)pent-2-en-1-ol
Basic information
- CAS
243139-65-3- Standard SMILES
OCC=CC(F)(C(F)(F)F)C(F)(F)F- InChIKey
LJGTZTYTTFGFAE-UHFFFAOYSA-N- Molecular formula
- C6H5F7O
- Average molar mass
- 226.09 g/mol
- Monoisotopic mass
- 226.02286191
Names & identifiers
- Preferred name
- 4,5,5,5-Tetrafluoro-4-(trifluoromethyl)pent-2-en-1-ol
- IUPAC
- 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-2-en-1-ol
- English name
- 4,5,5,5-Tetrafluoro-4-(trifluoromethyl)pent-2-en-1-ol
- Molecular formula
- C6H5F7O
- Molecular weight
- 226.09
Names & synonyms
4,5,5,5-Tetrafluoro-4-(trifluoromethyl)pent-2-en-1-ol4,5,5,5-tetrafluoro-4-(trifluoromethyl)-2-penten-1-ol2-Penten-1-ol, 4,5,5,5-tetrafluoro-4-(trifluoromethyl)-SCHEMBL4313524SCHEMBL15351926DTXSID501213998(E)-4,5,5,5-Tetrafluoro-4-trifluoromethyl-pent-2-en-1-ol
Database identifiers
- CAS
243139-65-3- PubChem CID
- 2776809
- DTXSID
DTXSID501213998
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Experimental & physicochemical properties
PFASPFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 74.6 · 74.6±35.0 °C(Predicted)
- Density
- 1.44 · 1.440±0.06 g/cm3(Predicted)
- pka
- 13.16 · 13.16±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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