8-Fluoro-3,6,11-trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine--hydrogen chloride (1/1)
Basic information
- CAS
2651-73-2- Standard SMILES
CC1[C@@H]2Cc3ccc(F)cc3[C@]1(C)CCN2C.Cl- InChIKey
DWOWBWJDACHGBX-GBLULCQRSA-N- Molecular formula
- C15H21ClFN
- Average molar mass
- 269.78 g/mol
- Monoisotopic mass
- 269.1346555
Names & identifiers
- Preferred name
- 8-Fluoro-3,6,11-trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine--hydrogen chloride (1/1)
- IUPAC
- (1R,9S)-4-fluoro-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;hydrochloride
Names & synonyms
DTXSID90949373(2S,6R)-8-Fluoro-3,6,11-trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine--hydrogen chloride (1/1)8-Fluoro-3,6,11-trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine--hydrogen chloride (1/1)
Database identifiers
- CAS
2651-73-2- PubChem CID
- 200757
- DTXSID
DTXSID90949373
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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