Basic information
- Standard SMILES
N#Cc1ccc(Cl)c(Oc2ccc(C(F)(F)F)cn2)c1- InChIKey
XFIZFQHNYFKAJI-UHFFFAOYSA-N- Molecular formula
- C13H6ClF3N2O
- Average molar mass
- 298.65 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-3-(5-trifluoromethylpyridine-2-yloxy)benzonitrile
- IUPAC
- 4-chloro-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile
Names & synonyms
4-chloro-3-(5-trifluoromethylpyridine-2-yloxy)benzonitrileSCHEMBL8301141
Database identifiers
- PubChem CID
- 21463615
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 45.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 382
Related reactions
4 records
Compound notes
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