Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(=C(F)c2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1- InChIKey
ABDMNLBYKLJALX-UHFFFAOYSA-N- Molecular formula
- C23H24F4N2O3
- Average molar mass
- 452.4 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(fluoro(3-(5-(trifluoromethyl)pyridin-2-yloxy)phenyl)methylene)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[fluoro-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylate
Names & synonyms
tert-butyl 4-(fluoro(3-(5-(trifluoromethyl)pyridin-2-yloxy)phenyl)methylene)piperidine-1-carboxylateSCHEMBL1011195
Database identifiers
- PubChem CID
- 66876018
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 680
Related reactions
4 records
Compound notes
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