4-[[2-(4-Pyrimidinyloxy)ethyl](2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
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Basic information
- Standard SMILES
N#Cc1ccc(N(CCOc2ccncn2)CC(F)(F)F)cc1C(F)(F)F- InChIKey
LSMIQHWVYSIMLG-UHFFFAOYSA-N- Molecular formula
- C16H12F6N4O
- Average molar mass
- 390.28 g/mol
Names & identifiers
- Preferred name
- 4-[[2-(4-Pyrimidinyloxy)ethyl](2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
- IUPAC
- 4-[2-pyrimidin-4-yloxyethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
Names & synonyms
4-[[2-(4-Pyrimidinyloxy)ethyl](2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrileSCHEMBL3416097
Database identifiers
- PubChem CID
- 11618034
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 62 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 517
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Related reactions
2 records
Compound notes
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