Basic information
- Standard SMILES
CNc1ccc(C(C)C(O)(c2ccnc(Cl)c2)C(F)(F)F)c(Cl)c1- InChIKey
AOYWAVAJIGQXBN-UHFFFAOYSA-N- Molecular formula
- C16H15Cl2F3N2O
- Average molar mass
- 379.2 g/mol
- Monoisotopic mass
- 378.051353
Names & identifiers
- Preferred name
- 3-(2-Chloro-4-methylamino-phenyl)-2-(2-chloro-pyridin-4-yl)-1,1,1-trifluoro-butan-2-ol
- IUPAC
- 3-[2-chloro-4-(methylamino)phenyl]-2-(2-chloro-4-pyridinyl)-1,1,1-trifluorobutan-2-ol
Names & synonyms
3-(2-Chloro-4-methylamino-phenyl)-2-(2-chloro-pyridin-4-yl)-1,1,1-trifluoro-butan-2-olSCHEMBL480498
Database identifiers
- PubChem CID
- 86645950
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 427
Related reactions
2 records
Compound notes
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