Difluoromethyl trifluoromethanesulfonate

• Catalog: OFC1885467
• CAS: 1885-46-7
• Category: Difluoromethylation Agents
• Synonyms: Trifluoromethanesulfonic Acid Difluoromethyl Ester
• Purity: 98%
• MDL Number: MFCD28054469

• IUPAC Name: difluoromethyl trifluoromethanesulfonate
• InChI: InChI=1S/C2HF5O3S/c3-1(4)10-11(8,9)2(5,6)7/h1H
• InChI Key: DAANAKGWBDWGBQ-UHFFFAOYSA-N
• Isomeric SMILES: C(OS(=O)(=O)C(F)(F)F)(F)F
• EC Number: 808-845-4

• Molecular Formula: C2HF5O3S
• Molecular Weight: 200.08
• Storage: Keep in dark place, inert atmosphere, 2-8°C

• XLogP3-AA: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 199.95665587 g/mol
• Monoisotopic Mass: 199.95665587 g/mol
• Topological Polar Surface Area: 51.8Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 209