Basic information
- Standard SMILES
Fc1cc(Br)cc2c1OC(C1CCNCC1)C2- InChIKey
IAOCDBHZMDDAQE-UHFFFAOYSA-N- Molecular formula
- C13H15BrFNO
- Average molar mass
- 300.17 g/mol
- Monoisotopic mass
- 299.0321
Names & identifiers
- Preferred name
- 4-(5-Bromo-7-fluoro-2,3-dihydrobenzofuran-2-yl)piperidine
- IUPAC
- 4-(5-bromo-7-fluoro-2,3-dihydro-1-benzofuran-2-yl)piperidine
Names & synonyms
SCHEMBL12184493IAOCDBHZMDDAQE-UHFFFAOYSA-N4-(5-Bromo-7-fluoro-2,3-dihydrobenzofuran-2-yl)piperidine
Database identifiers
- PubChem CID
- 68211894
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
2 records
Compound notes
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