Basic information
- Standard SMILES
O=C(O)c1cc(C(F)(F)F)cnc1N1CC(Oc2cccc(OC(F)(F)F)c2)C1- InChIKey
IIYORLJRHDYNBP-UHFFFAOYSA-N- Molecular formula
- C17H12F6N2O4
- Average molar mass
- 422.28 g/mol
Names & identifiers
- Preferred name
- 2-(3-(3-(Trifluoromethoxy)phenoxy)azetidin-1-yl)-5-(trifluoromethyl)nicotinic acid
- IUPAC
- 2-[3-[3-(trifluoromethoxy)phenoxy]azetidin-1-yl]-5-(trifluoromethyl)pyridine-3-carboxylic acid
Names & synonyms
2-(3-(3-(trifluoromethoxy)phenoxy)azetidin-1-yl)-5-(trifluoromethyl)nicotinic acidSCHEMBL9901603
Database identifiers
- PubChem CID
- 86697876
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 581
Related reactions
2 records
Compound notes
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