Basic information
- Standard SMILES
N#Cc1ccc(N(CCOc2ccc(F)cc2)CC(F)(F)F)cc1C(F)(F)F- InChIKey
ZTEILDRZUUEEAT-UHFFFAOYSA-N- Molecular formula
- C18H13F7N2O
- Average molar mass
- 406.3 g/mol
- Monoisotopic mass
- 406.09161018
Names & identifiers
- Preferred name
- 4-[{2-[(4-Fluorophenyl)oxy]ethyl}(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
- IUPAC
- 4-[2-(4-fluorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
Names & synonyms
4-[{2-[(4-Fluorophenyl)oxy]ethyl}(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrileSCHEMBL3412276
Database identifiers
- PubChem CID
- 11618356
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 534
Related reactions
2 records
Compound notes
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