difluoromethyl difluoromethanesulfonate

• ChemBase ID: 798945
• Molecular Formular: C2H2F4O3S
• Molecular Mass: 182.0940928
• Monoisotopic Mass: 181.9660778
• SMILES: C(S(=O)(=O)OC(F)F)(F)F
• Canonical SMILES: FC(OS(=O)(=O)C(F)F)F
• InChI: InChI=1S/C2H2F4O3S/c3-1(4)9-10(7,8)2(5)6/h1-2H
• InChIKey: IGPXFQOUYIQWAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: difluoromethyl difluoromethanesulfonate
• IUPAC Traditional name: difluoromethyl difluoromethanesulfonate
• Synonyms: Difluoromethyl Difluoromethanesulfonate

Database IDs

• CAS Number: 101817-80-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9429066
• LogD (pH = 7.4): 1.9429066
• Log P: 1.9429066
• Molar Refractivity: 21.4243 cm^3
• Polarizability: 9.522113 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%