2-[(E)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 296617
• Molecular Formular: C14H18BFO2
• Molecular Mass: 248.1009232
• Monoisotopic Mass: 248.13838844
• SMILES: B1(OC(C(O1)(C)C)(C)C)/C=C/c1ccc(cc1)F
• Canonical SMILES: CC1(C)OB(OC1(C)C)/C=C/c1ccc(cc1)F
• InChI: InChI=1S/C14H18BFO2/c1-13(2)14(3,4)18-15(17-13)10-9-11-5-7-12(16)8-6-11/h5-10H,1-4H3/b10-9+
• InChIKey: ZJRAXVMUDOVAOD-MDZDMXLPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(E)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-[(E)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-[trans-2-(4-Fluorophenyl)vinyl]-4,4,5,5-tetramethyl[1,3,2]dioxaborolane; 4-Fluoro-trans-beta-styrylboronic acid pinacol ester; 4-氟-反-beta-苯乙烯硼酸频哪醇酯

Database IDs

• CAS Number: 504433-86-7
• MDL Number: MFCD12546189
• PubChem SID: 180682148
• PubChem CID: 11207378

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.7753
• LogD (pH = 7.4): 4.7753
• Log P: 4.7753
• Molar Refractivity: 65.706 cm^3
• Polarizability: 27.179325 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%