6,6,7,7-Tetrafluoro-5-hydroxy-2,2-dimethyl-5-phenylheptan-3-one
Basic information
- CAS
146801-17-4- Standard SMILES
CC(C)(C)C(=O)CC(O)(c1ccccc1)C(F)(F)C(F)F- InChIKey
WWIOLTWSDLMDMH-UHFFFAOYSA-N- Molecular formula
- C15H18F4O2
- Average molar mass
- 306.29 g/mol
- Monoisotopic mass
- 306.12429246
Names & identifiers
- Preferred name
- 6,6,7,7-Tetrafluoro-5-hydroxy-2,2-dimethyl-5-phenylheptan-3-one
- IUPAC
- 6,6,7,7-tetrafluoro-5-hydroxy-2,2-dimethyl-5-phenylheptan-3-one
Names & synonyms
6,6,7,7-tetrafluoro-5-hydroxy-2,2-dimethyl-5-phenylheptan-3-one5568-41-2CBMicro_048325DTXSID00386119DTXSID001174305AKOS001651050146801-17-4BIM-0048320.P001EU-0076666SR-01000479194SR-01000479194-16,6,7,7-Tetrafluoro-5-hydroxy-2,2-dimethyl-5-phenyl-3-heptanone
Show more names
3-Heptanone, 6,6,7,7-tetrafluoro-5-hydroxy-2,2-dimethyl-5-phenyl-
Database identifiers
- CAS
146801-17-4、5568-41-2- PubChem CID
- 2853363
- DTXSID
DTXSID001174305
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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