Basic information
- CAS
101858-23-5- Standard SMILES
OC1(c2ccccc2)CC2CCCC(C1)N2CCCC1(c2ccc(F)cc2)OCCO1- InChIKey
REEKMQKPPHFYBM-UHFFFAOYSA-N- Molecular formula
- C26H32FNO3
- Average molar mass
- 425.5 g/mol
- Monoisotopic mass
- 425.23662204
Names & identifiers
- Preferred name
- 9-(3-(2-(4-Fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-phenyl-9-azabicyclo(3.3.1)nonan-3-ol
- IUPAC
- 9-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol
Names & synonyms
101858-23-5DTXSID409067549-{3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl}-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol9-(3-(2-(4-Fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-phenyl-9-azabicyclo(3.3.1)nonan-3-olRefChem:1074897DTXCID6013358509-(3-(2-p-Fluorophenyl-2-dioxolanyl)-propyl)-3-phenyl-3-nortropanol3-Nortropanol, 9-(3-(2-(p-fluorophenyl)-1,3,-dioxolan-2-yl)propyl)-3-phenyl-9-Azabicyclo(3.3.1)nonan-3-ol, 9-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-phenyl-9-(3-(2'-p-Fluorophenyl-2'-dioxolanyl)propyl)-3-phenyl-3-granatanol102585-83-1
Database identifiers
- CAS
101858-23-5、102585-83-1- PubChem CID
- 59655
- DTXSID
DTXSID40906754- Nikkaji
- J84.600G
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 567
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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