potassium trifluoro[(propan-2-yloxy)methyl]boranuide

• ChemBase ID: 271291
• Molecular Formular: C4H9BF3KO
• Molecular Mass: 180.0181696
• Monoisotopic Mass: 180.03356165
• SMILES: [B-](COC(C)C)(F)(F)F.[K+]
• Canonical SMILES: F[B-](COC(C)C)(F)F.[K+]
• InChI: InChI=1S/C4H9BF3O.K/c1-4(2)9-3-5(6,7)8;/h4H,3H2,1-2H3;/q-1;+1
• InChIKey: KDQBERXCEPZFHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoro[(propan-2-yloxy)methyl]boranuide
• IUPAC Traditional name: potassium trifluoro(isopropoxymethyl)boranuide
• Synonyms: potassium trifluoro[(propan-2-yloxy)methyl]boranuide

Database IDs

• MDL Number: MFCD11505927
• PubChem SID: 164327201
• PubChem CID: 49761716

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4427
• LogD (pH = 7.4): 1.4427
• Log P: 1.4427
• Molar Refractivity: 25.4078 cm^3
• Polarizability: 10.558131 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.0090

Product Information

• Purity: 95%