2-((4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenoxy)methyl)pyridine
Basic information
- Standard SMILES
CC1(C)OB(c2ccc(OCc3ccccn3)c(C(F)(F)F)c2)OC1(C)C- InChIKey
XUBLZECQKFJWHN-UHFFFAOYSA-N- Molecular formula
- C19H21BF3NO3
- Average molar mass
- 379.2 g/mol
Names & identifiers
- Preferred name
- 2-((4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenoxy)methyl)pyridine
- IUPAC
- 2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenoxy]methyl]pyridine
Names & synonyms
2-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenoxy)methyl)pyridineSCHEMBL2146538
Database identifiers
- PubChem CID
- 67294163
Properties
Computed structural properties
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 499
Related reactions
1 records
Compound notes
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