2-fluoro-5-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

• ChemBase ID: 310132
• Molecular Formular: C13H18BFO3
• Molecular Mass: 252.0896232
• Monoisotopic Mass: 252.13330306
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1cc(c(cc1C)O)F
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cc(F)c(cc1C)O
• InChI: InChI=1S/C13H18BFO3/c1-8-6-11(16)10(15)7-9(8)14-17-12(2,3)13(4,5)18-14/h6-7,16H,1-5H3
• InChIKey: RBLXWFSZYDOHJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-5-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
• IUPAC Traditional name: 2-fluoro-5-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
• Synonyms: 2-fluoro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.2200418
• LogD (pH = 7.4): 4.0503716
• Log P: 4.2227
• Molar Refractivity: 62.9516 cm^3
• Polarizability: 26.041388 Å^3
• Polar Surface Area: 38.69 Å^2