3alpha-Bis(4-fluorophenyl)methoxytropane
Basic information
- CAS
156428-89-6- Standard SMILES
CN1[C@@H]2CC[C@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2- InChIKey
MHNSOBBJZCWUGS-YOFSQIOKSA-N- Molecular formula
- C21H23F2NO
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.17477068
Names & identifiers
- Preferred name
- 3alpha-Bis(4-fluorophenyl)methoxytropane
- IUPAC
- (1S,5R)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane
Names & synonyms
3alpha-Bis(4-fluorophenyl)methoxytropaneDTXSID6043888RefChem:282869DTXCID4023888NOCAS_43888156428-89-6(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octaneRel-(1R,3r,5S)-3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-azabicyclo[3.2.1]octaneNCGC00024872-01Tocris-0918SCHEMBL2615300CHEMBL1552961
Show more names
CHEMBL3084665SCHEMBL23675084DTXSID9011445353-alpha-bis-(4-fluorophenyl)-methoxytropane(1R,3r,5S)-3-[Bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane(3-endo)-3-[Bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane
Database identifiers
- CAS
156428-89-6- PubChem CID
- 6604776
- DTXSID
DTXSID6043888- ChEMBL
CHEMBL1552961、CHEMBL3084665- Nikkaji
- J606.513I
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 396
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Related reactions
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Compound notes
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