2-(4-fluorophenyl)-1,3,2-dioxaborolane

• ChemBase ID: 810273
• Molecular Formular: C8H8BFO2
• Molecular Mass: 165.9573232
• Monoisotopic Mass: 166.06013812
• SMILES: O1B(OCC1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)B1OCCO1
• InChI: InChI=1S/C8H8BFO2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4H,5-6H2
• InChIKey: QBBPVRDQYXXGDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-(4-fluorophenyl)-1,3,2-dioxaborolane
• Synonyms: 2-(4-FLUORO-PHENYL)-[1,3,2]DIOXABOROLANE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0573
• LogD (pH = 7.4): 3.0573
• Log P: 3.0573
• Molar Refractivity: 37.8155 cm^3
• Polarizability: 16.310616 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%