Basic information
- Standard SMILES
COC(=O)c1ccc(N2CC(F)(F)C2)c(OCCF)n1- InChIKey
QHJKBBVTPNTXEI-UHFFFAOYSA-N- Molecular formula
- C12H13F3N2O3
- Average molar mass
- 290.24 g/mol
Names & identifiers
- Preferred name
- Methyl 5-(3,3-difluoroazetidin-1-yl)-6-(2-fluoroethoxyl)pyridine-2-carboxylate
- IUPAC
- methyl 5-(3,3-difluoroazetidin-1-yl)-6-(2-fluoroethoxy)pyridine-2-carboxylate
Names & synonyms
Methyl 5-(3,3-difluoroazetidin-1-yl)-6-(2-fluoroethoxyl)pyridine-2-carboxylateSCHEMBL15775927
Database identifiers
- PubChem CID
- 90203373
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 349
Related reactions
2 records
Compound notes
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