potassium trifluoro(3-methoxypropyl)boranuide

• ChemBase ID: 270836
• Molecular Formular: C4H9BF3KO
• Molecular Mass: 180.0181696
• Monoisotopic Mass: 180.03356165
• SMILES: [B-](F)(F)(F)CCCOC.[K+]
• Canonical SMILES: COCCC[B-](F)(F)F.[K+]
• InChI: InChI=1S/C4H9BF3O.K/c1-9-4-2-3-5(6,7)8;/h2-4H2,1H3;/q-1;+1
• InChIKey: ULLVFUXQOZFVDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoro(3-methoxypropyl)boranuide
• IUPAC Traditional name: potassium trifluoro(3-methoxypropyl)boranuide
• Synonyms: potassium trifluoro(3-methoxypropyl)boranuide

Database IDs

• MDL Number: MFCD09992908
• PubChem SID: 164326746
• PubChem CID: 50987179

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.5957
• LogD (pH = 7.4): 0.5957
• Log P: 0.5957
• Molar Refractivity: 25.7515 cm^3
• Polarizability: 10.556967 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.026

Product Information

• Purity: 95%