(4-fluorofuran-2-yl)boronic acid

• ChemBase ID: 800523
• Molecular Formular: C4H4BFO3
• Molecular Mass: 129.8821632
• Monoisotopic Mass: 130.02375261
• SMILES: B(O)(O)c1occ(c1)F
• Canonical SMILES: OB(c1occ(c1)F)O
• InChI: InChI=1S/C4H4BFO3/c6-3-1-4(5(7)8)9-2-3/h1-2,7-8H
• InChIKey: UYMPYLKDNHIAST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluorofuran-2-yl)boronic acid
• IUPAC Traditional name: 4-fluorofuran-2-ylboronic acid
• Synonyms: 4-FLUORO-2-FURANBORONIC ACID

CALCULATED PROPERTIES

• Acid pKa: 7.436991
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.90123457
• LogD (pH = 7.4): 0.6236048
• Log P: 0.9062
• Molar Refractivity: 22.5866 cm^3
• Polarizability: 10.286848 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%