Basic information
- Standard SMILES
CC(C)(C)CN(CCOc1ccc(F)cn1)c1ccc(C#N)c(C(F)(F)F)c1- InChIKey
ZJXYZXCASHGXAI-UHFFFAOYSA-N- Molecular formula
- C20H21F4N3O
- Average molar mass
- 395.4 g/mol
Names & identifiers
- Preferred name
- 4-((2,2-Dimethylpropyl){2-[(5-fluoro-2-pyridinyl)oxy]ethyl}amino)-2-(trifluoromethyl)benzonitrile
- IUPAC
- 4-[2,2-dimethylpropyl-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]amino]-2-(trifluoromethyl)benzonitrile
Names & synonyms
4-((2,2-Dimethylpropyl){2-[(5-fluoro-2-pyridinyl)oxy]ethyl}amino)-2-(trifluoromethyl)benzonitrileSCHEMBL3416816
Database identifiers
- PubChem CID
- 11675595
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 540
Related reactions
2 records
Compound notes
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