Basic information
- Standard SMILES
COC(=O)c1cc(Nc2nccc(C(F)(F)F)n2)cc(B2OC(C)(C)C(C)(C)O2)c1- InChIKey
VDPOJBOAMIPTBX-UHFFFAOYSA-N- Molecular formula
- C19H21BF3N3O4
- Average molar mass
- 423.2 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}benzoate
- IUPAC
- methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]benzoate
Names & synonyms
methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}benzoateSCHEMBL2508460DB-4309381312535-53-7Methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-[[4-(trifluoromethyl)-2-pyrimidinyl]amino]benzoate
Database identifiers
- PubChem CID
- 67433486
Properties
Computed structural properties
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 619
Related reactions
3 records
Compound notes
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