potassium (2,4-dimethylphenyl)trifluoroboranuide

• ChemBase ID: 32914
• Molecular Formular: C8H9BF3K
• Molecular Mass: 212.0615696
• Monoisotopic Mass: 212.03864703
• SMILES: c1c(cc(c(c1)[B-](F)(F)F)C)C.[K+]
• Canonical SMILES: Cc1ccc(c(c1)C)[B-](F)(F)F.[K+]
• InChI: InChI=1S/C8H9BF3.K/c1-6-3-4-8(7(2)5-6)9(10,11)12;/h3-5H,1-2H3;/q-1;+1
• InChIKey: BADMHUYSCWLTIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium (2,4-dimethylphenyl)trifluoroboranuide
• IUPAC Traditional name: potassium (2,4-dimethylphenyl)trifluoroboranuide
• Synonyms: Potassium (2,4-dimethylphenyl)trifluoroborate

Database IDs

• MDL Number: MFCD07368353
• PubChem SID: 160996221
• PubChem CID: 46736818

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0641
• LogD (pH = 7.4): 3.0641
• Log P: 3.0641
• Molar Refractivity: 40.0606 cm^3
• Polarizability: 15.35959 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false