1a[4a(4aFluorophenyl)piperazina1ayl]perfluorobutana1aone
Basic information
- Standard SMILES
O=C(N1CCN(c2ccc(F)cc2)CC1)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
ZGXHNAMURVCBNW-UHFFFAOYSA-N- Molecular formula
- C14H12F8N2O
- Average molar mass
- 376.24 g/mol
- Monoisotopic mass
- 376.08218831
Names & identifiers
- Preferred name
- 1a[4a(4aFluorophenyl)piperazina1ayl]perfluorobutana1aone
- IUPAC
- 2,2,3,3,4,4,4-heptafluoro-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one
Names & synonyms
DTXSID101344872AKOS0038538641a[4a(4aFluorophenyl)piperazina1ayl]perfluorobutana1aone
Database identifiers
- PubChem CID
- 4589979
- DTXSID
DTXSID101344872
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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