Hexafluoroisopropylmethylether

• Catalog: OFC13171181-4
• CAS: 13171-18-1
• Category: Trifluoromethylation Agents
• Synonyms: Isoindoklon; 1,1,1,3,3,3-Hexafluoro-2-Methoxypropane
• Purity: 98%
• MDL Number: MFCD00221772

• IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-methoxypropane
• InChI: InChI=1S/C4H4F6O/c1-11-2(3(5,6)7)4(8,9)10/h2H,1H3
• InChI Key: VNXYDFNVQBICRO-UHFFFAOYSA-N
• Isomeric SMILES: COC(C(F)(F)F)C(F)(F)F
• EC Number: 603-501-8

• Molecular Formula: C4H4F6O
• Molecular Weight: 182.06
• Storage: Keep in dark place, inert atmosphere, 2-8 °C

• XLogP3-AA: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 182.01663372 g/mol
• Monoisotopic Mass: 182.01663372 g/mol
• Topological Polar Surface Area: 9.2Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 110