Basic information
- Standard SMILES
NCCc1cccc(Cl)c1F- InChIKey
ZKWDNAHXIHESJG-UHFFFAOYSA-N- Molecular formula
- C8H9ClFN
- Average molar mass
- 173.61 g/mol
Names & identifiers
- Preferred name
- 2-(3-Chloro-2-fluorophenyl)ethanamine
- IUPAC
- 2-(3-chloro-2-fluorophenyl)ethanamine
Names & synonyms
771581-58-92-(3-chloro-2-fluorophenyl)ethan-1-amine2-(3-CHLORO-2-FLUOROPHENYL)ETHANAMINE2-(3-Chloro-2-fluoro-phenyl)-ethylamineSCHEMBL3641106ZKWDNAHXIHESJG-UHFFFAOYSA-NAKOS006295558EN300-1982904
Database identifiers
- PubChem CID
- 53403583
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Related reactions
3 records
Compound notes
Loading…