dibutylboranylium trifluoromethanesulfonate

• ChemBase ID: 126967
• Molecular Formular: C9H19BF3O3S
• Molecular Mass: 275.1165696
• Monoisotopic Mass: 275.11000553
• SMILES: [BH+](CCCC)CCCC.C(F)(F)(F)S(=O)(=O)[O-]
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.CCCC[BH+]CCCC
• InChI: InChI=1S/C8H18B.CHF3O3S/c1-3-5-7-9-8-6-4-2;2-1(3,4)8(5,6)7/h3-8H2,1-2H3;(H,5,6,7)/q+1;/p-1
• InChIKey: MVLMPMUGCWJDLE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: dibutylboranylium trifluoromethanesulfonate
• IUPAC Traditional name: dibutylboranylium triflate
• Synonyms: Dibutylboron triflate; Dibutylboron trifluoromethanesulfonate

Database IDs

• CAS Number: 60669-69-4
• Chemspider ID: 23621624
• Wikipedia Title: Dibutylboron_trifluoromethanesulfonate

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3058
• LogD (pH = 7.4): 3.3058
• Log P: 3.3058
• Molar Refractivity: 38.6358 cm^3
• Polarizability: 17.181623 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true