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

• ChemBase ID: 100869
• Molecular Formular: C8F14O5
• Molecular Mass: 442.0602448
• Monoisotopic Mass: 441.95221818
• SMILES: O=C(F)C(OC(F)(F)C(F)(F)OC(C(OC(C(=O)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(=O)C(OC(C(OC(C(OC(C(=O)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8F14O5/c9-1(23)3(11,12)25-5(15,16)7(19,20)27-8(21,22)6(17,18)26-4(13,14)2(10)24
• InChIKey: NXKRSHBLGKAAMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 24689-56-3
• MDL Number: MFCD09258945
• PubChem SID: 162087915
• PubChem CID: 13766130

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.175635
• LogD (pH = 7.4): 5.175635
• Log P: 5.175635
• Molar Refractivity: 49.4067 cm^3
• Polarizability: 18.71495 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Toxic/Corrosive