potassium trifluoro(iodomethyl)boranuide

• ChemBase ID: 98623
• Molecular Formular: CH2BF3IK
• Molecular Mass: 247.8355596
• Monoisotopic Mass: 247.8883448
• SMILES: [B-](F)(F)(CI)F.[K+]
• Canonical SMILES: F[B-](CI)(F)F.[K+]
• InChI: InChI=1S/CH2BF3I.K/c3-2(4,5)1-6;/h1H2;/q-1;+1
• InChIKey: WQJVWRYIXQXISQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoro(iodomethyl)boranuide
• IUPAC Traditional name: potassium ion trifluoro(iodomethyl)boranuide
• Synonyms: Potassium (iodomethyl)trifluoroborate

Database IDs

• CAS Number: 888711-47-5
• PubChem SID: 162085019
• PubChem CID: 23674071

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.0904
• LogD (pH = 7.4): 2.0904
• Log P: 2.0904
• Molar Refractivity: 22.6232 cm^3
• Polarizability: 10.101132 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant