Basic information
- Standard SMILES
CC(Nc1nc(Cl)ncc1F)c1ccc(F)cc1- InChIKey
LSKWIOMWSBHONV-UHFFFAOYSA-N- Molecular formula
- C12H10ClF2N3
- Average molar mass
- 269.68 g/mol
Names & identifiers
- Preferred name
- (+)-n-(2-Chloro-5-fluoropyrimidinyl)-1-(4-fluorophenyl)ethylamine
- IUPAC
- 2-chloro-5-fluoro-N-[1-(4-fluorophenyl)ethyl]pyrimidin-4-amine
Names & synonyms
SCHEMBL653210LSKWIOMWSBHONV-UHFFFAOYSA-NAKOS017630972(+)-n-(2-chloro-5-fluoropyrimidinyl)-1-(4-fluorophenyl)ethylamine(+/-)-N-(2-chloro-5-fluoropyrimidinyl)-1-(4-fluorophenyl)ethylamine
Database identifiers
- PubChem CID
- 79080435
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 262
Related reactions
50 records
Linked notes
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