2-Octen-4-one, 5,5,6,6,7,7,8,8-octafluoro-2-mercapto-
Basic information
- CAS
88552-04-9- Standard SMILES
CC(S)=CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F- InChIKey
VHMCYEKUYBMISA-UHFFFAOYSA-N- Molecular formula
- C8H6F8OS
- Average molar mass
- 302.19 g/mol
- Monoisotopic mass
- 302.00116128
Names & identifiers
- Preferred name
- 2-Octen-4-one, 5,5,6,6,7,7,8,8-octafluoro-2-mercapto-
- IUPAC
- 5,5,6,6,7,7,8,8-octafluoro-2-sulfanyloct-2-en-4-one
Names & synonyms
88552-04-92-Octen-4-one, 5,5,6,6,7,7,8,8-octafluoro-2-mercapto-5,5,6,6,7,7,8,8-octafluoro-2-sulfanyloct-2-en-4-oneDTXSID50276399
Database identifiers
- CAS
88552-04-9- PubChem CID
- 145172
- DTXSID
DTXSID50276399
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 362
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…