Basic information
- Standard SMILES
N#Cc1ccc(Oc2ccc(C(F)(F)C3(c4ccc(F)cc4F)CO3)nc2)cc1- InChIKey
JMZYBUGCQYDGST-UHFFFAOYSA-N- Molecular formula
- C21H12F4N2O2
- Average molar mass
- 400.3 g/mol
- Monoisotopic mass
- 400.08349028
Names & identifiers
- Preferred name
- 4-((6-((2-(2,4-Difluorophenyl)oxiran-2-yl)difluoromethyl)pyridin-3-yl)oxy)benzonitrile
- IUPAC
- 4-[[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]oxy]benzonitrile
Names & synonyms
4-((6-((2-(2,4-difluorophenyl)oxiran-2-yl)difluoromethyl)pyridin-3-yl)oxy)benzonitrileSCHEMBL14329893
Database identifiers
- PubChem CID
- 89309084
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 633
Related reactions
2 records
Compound notes
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