Basic information
- CAS
101564-48-1- Standard SMILES
CC1=C(Br)C(=O)C(C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1- InChIKey
DPQCPKKVUDMATE-UHFFFAOYSA-N- Molecular formula
- C12H13BrF6O2
- Average molar mass
- 383.12 g/mol
- Monoisotopic mass
- 382.00031
Names & identifiers
- Preferred name
- 2-Bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,5,5-trimethylcyclohex-2-en-1-one
- IUPAC
- 2-bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,5,5-trimethylcyclohex-2-en-1-one
Names & synonyms
101564-48-12-bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,5,5-trimethylcyclohex-2-en-1-oneDTXSID70906343RefChem:1062473DTXCID7013354412-Bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexene-1-oneNSC1599962-Cyclohexen-1-one, 2-bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-DPQCPKKVUDMATE-UHFFFAOYSA-NNSC-1599962-Cyclohexen-1-one, 2-bromo-3,5,5-trimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-2-Cyclohexen-1-one,?2-bromo-3,5,5-trimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-
Database identifiers
- CAS
101564-48-1- PubChem CID
- 293418
- DTXSID
DTXSID70906343- Nikkaji
- J77.864H
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 475
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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