1-Azatetracyclo[2.2.0.0(2,6).0(3,5)]hexane, 2,3,4,5,6-pentakis(pentafluoroethyl)-
Basic information
- CAS
30649-87-7- Standard SMILES
FC(F)(F)C(F)(F)C12N3C1(C(F)(F)C(F)(F)F)C1(C(F)(F)C(F)(F)F)C3(C(F)(F)C(F)(F)F)C21C(F)(F)C(F)(F)F- InChIKey
QGBUYKFMEPWOOT-UHFFFAOYSA-N- Molecular formula
- C15F25N
- Average molar mass
- 669.13 g/mol
- Monoisotopic mass
- 668.9631531
Names & identifiers
- Preferred name
- 1-Azatetracyclo[2.2.0.0(2,6).0(3,5)]hexane, 2,3,4,5,6-pentakis(pentafluoroethyl)-
- IUPAC
- 2,3,4,5,6-pentakis(1,1,2,2,2-pentafluoroethyl)-1-azatetracyclo[2.2.0.02,6.03,5]hexane
- English name
- 2,3,4,5,6-Pentakis(pentafluoroethyl)-1-azatetracyclo[2.2.0.02,6.03,5]hexane
- Molecular formula
- C15F25N
- Molecular weight
- 669.13
Names & synonyms
1-Azatetracyclo[2.2.0.0(2,6).0(3,5)]hexane, 2,3,4,5,6-pentakis(pentafluoroethyl)-30649-87-7DTXSID6010456472,3,4,5,6-Pentakis(pentafluoroethyl)-1-azatetracyclo[2.2.0.02,6.03,5]hexane2,3,4,5,6-Pentakis(pentafluoroethyl)-1-azatetracyclo[2.2.0.0(2,6).0(3,5)]hexane1-Azatetracyclo[2.2.0.02,6.03,5]hexane, 2,3,4,5,6-pentakis(1,1,2,2,2-pentafluoroethyl)-
Database identifiers
- CAS
30649-87-7- PubChem CID
- 636091
- DTXSID
DTXSID601045647- Nikkaji
- J119.543C
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 26
- Rotatable bonds
- 5
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,120
Physicochemical properties
- Boiling point
- 209.4 · 209.4±35.0 °C(Predicted)
- Density
- 1.98 · 1.98±0.1 g/cm3(Predicted)
- pka
- -6.86 · -6.86±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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