4-[{2-[(4-Cyanophenyl)oxy]ethyl}(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
Basic information
- Standard SMILES
N#Cc1ccc(OCCN(CC(F)(F)F)c2ccc(C#N)c(C(F)(F)F)c2)cc1- InChIKey
MKHVTDOGMODLLJ-UHFFFAOYSA-N- Molecular formula
- C19H13F6N3O
- Average molar mass
- 413.3 g/mol
- Monoisotopic mass
- 413.09628102
Names & identifiers
- Preferred name
- 4-[{2-[(4-Cyanophenyl)oxy]ethyl}(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
- IUPAC
- 4-[2-(4-cyanophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
Names & synonyms
4-[{2-[(4-Cyanophenyl)oxy]ethyl}(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrileSCHEMBL3418855
Database identifiers
- PubChem CID
- 11611326
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 60.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 623
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Related reactions
2 records
Compound notes
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