potassium 2-bromo-2,2-difluoroacetate

• ChemBase ID: 98984
• Molecular Formular: C2BrF2KO2
• Molecular Mass: 213.0193064
• Monoisotopic Mass: 211.86867936
• SMILES: [O-]C(=O)C(F)(Br)F.[K+]
• Canonical SMILES: [O-]C(=O)C(Br)(F)F.[K+]
• InChI: InChI=1S/C2HBrF2O2.K/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
• InChIKey: IDXMRTSGPHLLSP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium 2-bromo-2,2-difluoroacetate
• IUPAC Traditional name: potassium ion 2-bromo-2,2-difluoroacetate
• Synonyms: Potassium bromo(difluoro)acetate 97+%

Database IDs

• CAS Number: 87189-16-0
• PubChem SID: 162085289
• PubChem CID: 23712053

CALCULATED PROPERTIES

• Acid pKa: 0.78479344
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.2360017
• LogD (pH = 7.4): -2.263069
• Log P: 1.2660424
• Molar Refractivity: 32.1343 cm^3
• Polarizability: 8.252107 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: none°C

Safety Information

• Storage Warning: Irritant/Hygroscopic