Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC=C(c2cc(C(F)(F)F)ccc2B2OC(C)(C)C(C)(C)O2)CC1- InChIKey
KVVXSBCFZGGVHJ-UHFFFAOYSA-N- Molecular formula
- C23H31BF3NO4
- Average molar mass
- 453.3 g/mol
Names & identifiers
- Preferred name
- tert-butyl 4-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl)-5,6-dihydropyridine-1(2H)-carboxylate
- IUPAC
- tert-butyl 4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
Names & synonyms
tert-butyl 4-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl)-5,6-dihydropyridine-1(2H)-carboxylateSCHEMBL14699011A1-78016
Database identifiers
- PubChem CID
- 71259448
Properties
Computed structural properties
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 729
Related reactions
2 records
Compound notes
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