6,6,6-Trifluoro-5-hydroxy-2,2-dimethyl-5-phenylhexan-3-one
Basic information
- CAS
146801-16-3- Standard SMILES
CC(C)(C)C(=O)CC(O)(c1ccccc1)C(F)(F)F- InChIKey
SOAPATQWIPYRSS-UHFFFAOYSA-N- Molecular formula
- C14H17F3O2
- Average molar mass
- 274.28 g/mol
- Monoisotopic mass
- 274.11806427
Names & identifiers
- Preferred name
- 6,6,6-Trifluoro-5-hydroxy-2,2-dimethyl-5-phenylhexan-3-one
- IUPAC
- 6,6,6-trifluoro-5-hydroxy-2,2-dimethyl-5-phenylhexan-3-one
- English name
- CHEMBRDG-BB 5192683
- Molecular formula
- C14H17F3O2
- Molecular weight
- 274.28
Names & synonyms
6,6,6-trifluoro-5-hydroxy-2,2-dimethyl-5-phenylhexan-3-one146801-16-3MFCD00555362CBDivE_014990DTXSID10385350SOAPATQWIPYRSS-UHFFFAOYSA-NHMS1577L20AKOS022184372BS-36845DB-186122CS-0337187F313911
Show more names
CHEMBRDG-BB 51926833-Hexanone, 6,6,6-trifluoro-5-hydroxy-2,2-dimethyl-5-phenyl-6,6,6-trifluoro-5-hydroxy-2,2-dimethyl-5-phenylhexan-3-one(SALTDATA: FREE)
SR-01000198193SR-01000198193-16,6,6-Trifluoro-5-hydroxy-2,2-dimethyl-5-phenyl-3-hexanone6,6,6-trifluoro-5-hydroxy-2,2-dimethyl-5-phenyl-hexan-3-one
Database identifiers
- CAS
146801-16-3- PubChem CID
- 2832869
- DTXSID
DTXSID10385350
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Melting point
- 83 · 83-84 °C
- Boiling point
- 337.5 · 337.5±42.0 °C(Predicted)
- Density
- 1.176 · 1.176±0.06 g/cm3(Predicted)
- pka
- 11.2 · 11.20±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Compound notes
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