2-(2,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 300963
• Molecular Formular: C12H15BF2O2
• Molecular Mass: 240.0541064
• Monoisotopic Mass: 240.11331656
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1cc(ccc1F)F
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cc(F)ccc1F
• InChI: InChI=1S/C12H15BF2O2/c1-11(2)12(3,4)17-13(16-11)9-7-8(14)5-6-10(9)15/h5-7H,1-4H3
• InChIKey: WNHQMCOFRAYOJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-(2,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2,5-Difluorophenylboronic acid pinacol ester; 2,5-Difluorobenzeneboronic acid pinacol ester

Database IDs

• CAS Number: 408492-25-1
• MDL Number: MFCD12405346

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.1794
• LogD (pH = 7.4): 4.1794
• Log P: 4.1794
• Molar Refractivity: 56.1459 cm^3
• Polarizability: 23.370306 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 96%