potassium trifluoro({[2-(trimethylsilyl)ethoxy]methyl})boranuide

• ChemBase ID: 98012
• Molecular Formular: C6H15BF3KOSi
• Molecular Mass: 238.1727096
• Monoisotopic Mass: 238.05743837
• SMILES: [B-](F)(F)(F)COCC[Si](C)(C)C.[K+]
• Canonical SMILES: C[Si](CCOC[B-](F)(F)F)(C)C.[K+]
• InChI: InChI=1S/C6H15BF3OSi.K/c1-12(2,3)5-4-11-6-7(8,9)10;/h4-6H2,1-3H3;/q-1;+1
• InChIKey: DJFAQXNICJQMDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoro({[2-(trimethylsilyl)ethoxy]methyl})boranuide
• IUPAC Traditional name: potassium ion trifluoro({[2-(trimethylsilyl)ethoxy]methyl})boranuide
• Synonyms: Potassium {[2-(trimethylsilyl)ethoxy]methyl}trifluoroborate

Database IDs

• CAS Number: 1027642-28-9
• MDL Number: MFCD11505930
• PubChem SID: 162084485
• PubChem CID: 24900135

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5292
• LogD (pH = 7.4): 2.5292
• Log P: 2.5292
• Molar Refractivity: 36.671 cm^3
• Polarizability: 17.051065 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant