2,4,6,6,7,7-Hexafluoro-1,5-dimethoxy-8-oxabicyclo[3.2.1]octan-3-one
Basic information
- CAS
65594-12-9- Standard SMILES
COC12OC(OC)(C(F)C(=O)C1F)C(F)(F)C2(F)F- InChIKey
LYFSYZKYRHYFHT-UHFFFAOYSA-N- Molecular formula
- C9H8F6O4
- Average molar mass
- 294.15 g/mol
- Monoisotopic mass
- 294.0326777
Names & identifiers
- Preferred name
- 2,4,6,6,7,7-Hexafluoro-1,5-dimethoxy-8-oxabicyclo[3.2.1]octan-3-one
- IUPAC
- 2,4,6,6,7,7-hexafluoro-1,5-dimethoxy-8-oxabicyclo[3.2.1]octan-3-one
Names & synonyms
65594-12-92,4,6,6,7,7-Hexafluoro-1,5-dimethoxy-8-oxabicyclo[3.2.1]octan-3-oneDTXSID90617606
Database identifiers
- CAS
65594-12-9- PubChem CID
- 21732405
- DTXSID
DTXSID90617606
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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