potassium (2,2-dimethylpropyl)trifluoroboranuide

• ChemBase ID: 97998
• Molecular Formular: C5H11BF3K
• Molecular Mass: 178.0453496
• Monoisotopic Mass: 178.05429709
• SMILES: [B-](CC(C)(C)C)(F)(F)F.[K+]
• Canonical SMILES: F[B-](CC(C)(C)C)(F)F.[K+]
• InChI: InChI=1S/C5H11BF3.K/c1-5(2,3)4-6(7,8)9;/h4H2,1-3H3;/q-1;+1
• InChIKey: QPXOGXAOXXGHLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium (2,2-dimethylpropyl)trifluoroboranuide
• IUPAC Traditional name: potassium ion (2,2-dimethylpropyl)trifluoroboranuide
• Synonyms: Potassium (2,2-dimethylprop-1-yl)trifluoroborate

Database IDs

• CAS Number: 1150655-02-9
• MDL Number: MFCD09271780
• PubChem SID: 162084472
• PubChem CID: 46739278

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2282
• LogD (pH = 7.4): 2.2282
• Log P: 2.2282
• Molar Refractivity: 28.0953 cm^3
• Polarizability: 11.54023 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant