Basic information
- CAS
1694-30-0- Standard SMILES
O=C(C=C(O)C(F)(F)F)C(F)(F)F- InChIKey
ZUSKFDORJCVUSD-UHFFFAOYSA-N- Molecular formula
- C5H2F6O2
- Average molar mass
- 208.06 g/mol
- Monoisotopic mass
- 207.99589827
Names & identifiers
- Preferred name
- 3H-Perfluoro-4-hydroxy-3-penten-2-one
- IUPAC
- 1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one
Names & synonyms
3H-Perfluoro-4-hydroxy-3-penten-2-oneDTXSID902758061,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-oneSCHEMBL4452772SCHEMBL30768215
Database identifiers
- CAS
1694-30-0- PubChem CID
- 84644
- DTXSID
DTXSID90275806
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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