2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride

• ChemBase ID: 100868
• Molecular Formular: C6F10O4
• Molecular Mass: 326.045832
• Monoisotopic Mass: 325.96369068
• SMILES: O=C(C(F)(F)OC(C(OC(C(=O)F)(F)F)(F)F)(F)F)F
• Canonical SMILES: FC(=O)C(OC(C(OC(C(=O)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6F10O4/c7-1(17)3(9,10)19-5(13,14)6(15,16)20-4(11,12)2(8)18
• InChIKey: YOESRXYSDZQSHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride
• IUPAC Traditional name: 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride
• Synonyms: Perfluoropolyether diacyl fluoride (n=1) 98%

Database IDs

• CAS Number: 24647-19-6
• MDL Number: MFCD09258944
• PubChem SID: 162086697
• PubChem CID: 23235156

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.526333
• LogD (pH = 7.4): 3.526333
• Log P: 3.526333
• Molar Refractivity: 37.233 cm^3
• Polarizability: 14.054947 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic/Corrosive