2-(6-fluoronaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 796926
• Molecular Formular: C16H18BFO2
• Molecular Mass: 272.1223232
• Monoisotopic Mass: 272.13838844
• SMILES: O1B(OC(C1(C)C)(C)C)c1ccc2c(ccc(c2)F)c1
• Canonical SMILES: Fc1ccc2c(c1)ccc(c2)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C16H18BFO2/c1-15(2)16(3,4)20-17(19-15)13-7-5-12-10-14(18)8-6-11(12)9-13/h5-10H,1-4H3
• InChIKey: KXJCEEXZOONZGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-fluoronaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-(6-fluoronaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-(6-Fluoronaphthalen-2-yl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane

Database IDs

• CAS Number: 1308669-74-0

CALCULATED PROPERTIES

• Log P: 5.0421
• Molar Refractivity: 72.3797 cm^3
• Polarizability: 31.166378 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.0421
• LogD (pH = 7.4): 5.0421

PROPERTIES

Product Information

• Purity: 97%