2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine

• ChemBase ID: 802067
• Molecular Formular: C13H17BF3NO3
• Molecular Mass: 303.0851896
• Monoisotopic Mass: 303.12535847
• SMILES: n1c(cccc1OCC(F)(F)F)B1OC(C(O1)(C)C)(C)C
• Canonical SMILES: FC(COc1cccc(n1)B1OC(C(O1)(C)C)(C)C)(F)F
• InChI: InChI=1S/C13H17BF3NO3/c1-11(2)12(3,4)21-14(20-11)9-6-5-7-10(18-9)19-8-13(15,16)17/h5-7H,8H2,1-4H3
• InChIKey: NMEPJPFBZOBKTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine
• IUPAC Traditional name: 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine
• Synonyms: 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-6-(2,2,2-TRIFLUOROETHOXY)PYRIDINE

CALCULATED PROPERTIES

• LogD (pH = 7.4): 4.708
• Log P: 4.708
• Molar Refractivity: 66.0965 cm^3
• Polarizability: 26.813496 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 19.825525
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.707999

PROPERTIES

Product Information

• Purity: 98%