4-Fluoro-6-[[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]methoxy]phenanthridine
Basic information
- Standard SMILES
Fc1cccc2c1nc(OCC1CCN(CC(F)(F)C(F)(F)F)CC1)c1ccccc12- InChIKey
BIOIBTPQQITMJY-UHFFFAOYSA-N- Molecular formula
- C22H20F6N2O
- Average molar mass
- 442.4 g/mol
- Monoisotopic mass
- 442.14798224
Names & identifiers
- Preferred name
- 4-Fluoro-6-[[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]methoxy]phenanthridine
- IUPAC
- 4-fluoro-6-[[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]methoxy]phenanthridine
Names & synonyms
CHEMBL3093193DTXSID1013686644-Fluoro-6-[[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]methoxy]phenanthridine
Database identifiers
- PubChem CID
- 72697939
- DTXSID
DTXSID101368664- ChEMBL
CHEMBL3093193
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 25.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 595
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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