Basic information
- CAS
820972-08-5- Standard SMILES
CC(C)(F)[C@H](c1cc(F)cc(Br)c1)C1CNC1- InChIKey
CTZXGXMZOODCPM-GFCCVEGCSA-N- Molecular formula
- C13H16BrF2N
- Average molar mass
- 304.17 g/mol
- Monoisotopic mass
- 303.04342
Names & identifiers
- Preferred name
- 3-[(1S)-1-(3-bromo-5-fluorophenyl)-2-fluoro-2-methylpropyl]azetidine
- IUPAC
- 3-[(1S)-1-(3-bromo-5-fluorophenyl)-2-fluoro-2-methylpropyl]azetidine
Names & synonyms
820972-08-53-[(1S)-1-(3-bromo-5-fluorophenyl)-2-fluoro-2-methylpropyl]azetidineSCHEMBL1500556DTXSID10736328
Database identifiers
- CAS
820972-08-5- PubChem CID
- 67055331
- DTXSID
DTXSID10736328
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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