Basic information
- Standard SMILES
Nc1nc(Cl)cc(-c2cc(Cl)ccc2OCC(F)(F)F)n1- InChIKey
WQKMRHFLMMBKTP-UHFFFAOYSA-N- Molecular formula
- C12H8Cl2F3N3O
- Average molar mass
- 338.11 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-6-[5-chloro-2-(2,2,2-trifluoro-ethoxy)-phenyl]-pyrimidin-2-ylamine
- IUPAC
- 4-chloro-6-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-2-amine
Names & synonyms
4-chloro-6-[5-chloro-2-(2,2,2-trifluoro-ethoxy)-phenyl]-pyrimidin-2-ylamineSCHEMBL4285795
Database identifiers
- PubChem CID
- 86004362
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 348
Related reactions
2 records
Compound notes
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