6-Chloro-4a(2)-fluoro[1,1a(2)-biphenyl]-3-methanamine
Basic information
- CAS
1181608-86-5- Standard SMILES
NCc1ccc(Cl)c(-c2ccc(F)cc2)c1- InChIKey
XNWIPSARSMETMG-UHFFFAOYSA-N- Molecular formula
- C13H11ClFN
- Average molar mass
- 235.68 g/mol
- Monoisotopic mass
- 235.0564052
Names & identifiers
- Preferred name
- 6-Chloro-4a(2)-fluoro[1,1a(2)-biphenyl]-3-methanamine
- IUPAC
- [4-chloro-3-(4-fluorophenyl)phenyl]methanamine
Names & synonyms
DTXSID4012445081181608-86-51-(6-Chloro-4'-fluoro[1,1'-biphenyl]-3-yl)methanamine6-Chloro-4a(2)-fluoro[1,1a(2)-biphenyl]-3-methanamine
Database identifiers
- CAS
1181608-86-5- PubChem CID
- 39231998
- DTXSID
DTXSID401244508
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 216
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Compound notes
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