Basic information
- CAS
64249-76-9- Standard SMILES
CC(S)=CC(=O)C(F)(F)C(F)F- InChIKey
JOMAVZMNUWTMSS-UHFFFAOYSA-N- Molecular formula
- C6H6F4OS
- Average molar mass
- 202.17 g/mol
- Monoisotopic mass
- 202.00754863
Names & identifiers
- Preferred name
- 4-Hexen-3-one, 1,1,2,2-tetrafluoro-5-mercapto-
- IUPAC
- 1,1,2,2-tetrafluoro-5-sulfanylhex-4-en-3-one
Names & synonyms
4-Hexen-3-one, 1,1,2,2-tetrafluoro-5-mercapto-64249-76-91,1,2,2-TETRAFLUORO-5-SULFANYLHEX-4-EN-3-ONEDTXSID90276398JOMAVZMNUWTMSS-UHFFFAOYSA-N
Database identifiers
- CAS
64249-76-9- PubChem CID
- 145166
- DTXSID
DTXSID90276398
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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