4-Hepten-3-one, 1,1,2,2-tetrafluoro-5-mercapto-
Basic information
- CAS
88552-05-0- Standard SMILES
CCC(S)=CC(=O)C(F)(F)C(F)F- InChIKey
CECUBSXYFQYELM-UHFFFAOYSA-N- Molecular formula
- C7H8F4OS
- Average molar mass
- 216.2 g/mol
- Monoisotopic mass
- 216.0231987
Names & identifiers
- Preferred name
- 4-Hepten-3-one, 1,1,2,2-tetrafluoro-5-mercapto-
- IUPAC
- 1,1,2,2-tetrafluoro-5-sulfanylhept-4-en-3-one
Names & synonyms
88552-05-04-Hepten-3-one, 1,1,2,2-tetrafluoro-5-mercapto-1,1,2,2-tetrafluoro-5-sulfanylhept-4-en-3-oneDTXSID00276400
Database identifiers
- CAS
88552-05-0- PubChem CID
- 145173
- DTXSID
DTXSID00276400
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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