potassium trifluoro[(4-fluorophenyl)methyl]boranuide

• ChemBase ID: 246095
• Molecular Formular: C7H6BF4K
• Molecular Mass: 216.0254528
• Monoisotopic Mass: 216.01357515
• SMILES: [B-](Cc1ccc(F)cc1)(F)(F)F.[K+]
• Canonical SMILES: Fc1ccc(cc1)C[B-](F)(F)F.[K+]
• InChI: InChI=1S/C7H6BF4.K/c9-7-3-1-6(2-4-7)5-8(10,11)12;/h1-4H,5H2;/q-1;+1
• InChIKey: ANQLQMOKLNBMOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoro[(4-fluorophenyl)methyl]boranuide
• IUPAC Traditional name: potassium trifluoro[(4-fluorophenyl)methyl]boranuide
• Synonyms: potassium trifluoro[(4-fluorophenyl)methyl]boranuide

Database IDs

• MDL Number: MFCD04112715
• PubChem SID: 164302005
• PubChem CID: 63702501

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4249
• LogD (pH = 7.4): 2.4249
• Log P: 2.4249
• Molar Refractivity: 34.782 cm^3
• Polarizability: 13.55147 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 174 - 176°C
• Hydrophobicity(logP): 1.471

Product Information

• Purity: 95%