Basic information
- CAS
734-30-5- Standard SMILES
FC1(F)ON(C(F)(F)F)C(F)(F)C2=C1C(F)(F)C2(F)F- InChIKey
GOGKNHDAURWNGP-UHFFFAOYSA-N- Molecular formula
- C7F11NO
- Average molar mass
- 323.06 g/mol
- Monoisotopic mass
- 322.98042341
Names & identifiers
- Preferred name
- 3-Oxa-4-azabicyclo[4.2.0]oct-1(6)-ene, 2,2,5,5,7,7,8,8-octafluoro-4-(trifluoromethyl)-
- IUPAC
- 2,2,5,5,7,7,8,8-octafluoro-4-(trifluoromethyl)-3-oxa-4-azabicyclo[4.2.0]oct-1(6)-ene
- English name
- 2,2,5,5,7,7,8,8-Octafluoro-4-(trifluoromethyl)-3-oxa-4-azabicyclo[4.2.0]oct-1(6)-ene
- Molecular formula
- C7F11NO
- Molecular weight
- 323.06
Names & synonyms
734-30-5GOGKNHDAURWNGP-UHFFFAOYSA-NDTXSID3010452863-Oxa-4-azabicyclo[4.2.0]oct-1(6)-ene, 2,2,5,5,7,7,8,8-octafluoro-4-(trifluoromethyl)-Perfluoro-4-(trifluoromethyl)-3-oxa-4-azabicyclo[4.2.0]oct-1(6)-ene2,2,5,5,7,7,8,8-Octafluoro-4-(trifluoromethyl)-3-oxa-4-azabicyclo[4.2.0]oct-1(6)-ene #2,2,5,5,7,7,8,8-Octafluoro-4-(trifluoromethyl)-3-oxa-4-azabicyclo[4.2.0]oct-1(6)-ene3-Oxa-4-azabicyclo[4.2.0]oct-1(6)-ene, 2,2,5,5,7,7,8,8-octafluoro-4-(trifluoromethyl)- (7CI,8CI)
Database identifiers
- CAS
734-30-5- PubChem CID
- 550545
- DTXSID
DTXSID301045286- Nikkaji
- J111.589H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 489
Physicochemical properties
- Boiling point
- 59.6 · 59.6±50.0 °C(Predicted)
- Density
- 1.88 · 1.88±0.1 g/cm3(Predicted)
- pka
- -27.9 · -27.90±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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