potassium trifluoro[4-(oxan-4-yloxy)phenyl]boranuide

• ChemBase ID: 242789
• Molecular Formular: C11H13BF3KO2
• Molecular Mass: 284.1242296
• Monoisotopic Mass: 284.0597764
• SMILES: [B-](c1ccc(OC2CCOCC2)cc1)(F)(F)F.[K+]
• Canonical SMILES: F[B-](c1ccc(cc1)OC1CCOCC1)(F)F.[K+]
• InChI: InChI=1S/C11H13BF3O2.K/c13-12(14,15)9-1-3-10(4-2-9)17-11-5-7-16-8-6-11;/h1-4,11H,5-8H2;/q-1;+1
• InChIKey: HRXJYMAZXDGEPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoro[4-(oxan-4-yloxy)phenyl]boranuide
• IUPAC Traditional name: potassium trifluoro[4-(oxan-4-yloxy)phenyl]boranuide
• Synonyms: potassium trifluoro[4-(oxan-4-yloxy)phenyl]boranuide

Database IDs

• MDL Number: MFCD19059903
• PubChem SID: 164298699
• PubChem CID: 63936854

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7092
• LogD (pH = 7.4): 1.7092
• Log P: 1.7092
• Molar Refractivity: 54.9169 cm^3
• Polarizability: 21.752466 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.546

Product Information

• Purity: 95%