Basic information
- Standard SMILES
COC(=O)c1cc(C(F)(F)F)cnc1N1CC(Oc2cccc(C(F)(F)F)n2)C1- InChIKey
NBXFPMKVYHTYDR-UHFFFAOYSA-N- Molecular formula
- C17H13F6N3O3
- Average molar mass
- 421.29 g/mol
Names & identifiers
- Preferred name
- Methyl 5-(trifluoromethyl)-2-(3-((6-(trifluoromethyl)pyridin-2-yl)oxy)azetidin-1-yl)nicotinate
- IUPAC
- methyl 5-(trifluoromethyl)-2-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]pyridine-3-carboxylate
Names & synonyms
methyl 5-(trifluoromethyl)-2-(3-((6-(trifluoromethyl)pyridin-2-yl)oxy)azetidin-1-yl)nicotinateSCHEMBL9900748
Database identifiers
- PubChem CID
- 86697872
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 582
Related reactions
2 records
Compound notes
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