1,1,2,2-tetrafluoro-2-{[1,1,1,2,3,3-hexafluoro-3-(pentafluoroethoxy)propan-2-yl]oxy}ethane-1-sulfonyl fluoride

• ChemBase ID: 93670
• Molecular Formular: C7F16O4S
• Molecular Mass: 484.1119512
• Monoisotopic Mass: 483.926181
• SMILES: O(C(C(F)(F)F)(C(F)(F)OC(C(F)(F)F)(F)F)F)C(F)(F)C(S(=O)(=O)F)(F)F
• Canonical SMILES: FC(C(OC(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)OC(C(S(=O)(=O)F)(F)F)(F)F
• InChI: InChI=1S/C7F16O4S/c8-1(2(9,10)11,4(15,16)27-5(17,18)3(12,13)14)26-6(19,20)7(21,22)28(23,24)25
• InChIKey: VQUXEUQKVBTRLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2-tetrafluoro-2-{[1,1,1,2,3,3-hexafluoro-3-(pentafluoroethoxy)propan-2-yl]oxy}ethane-1-sulfonyl fluoride
• IUPAC Traditional name: 1,1,2,2-tetrafluoro-2-{[1,1,1,2,3,3-hexafluoro-3-(pentafluoroethoxy)propan-2-yl]oxy}ethanesulfonyl fluoride
• Synonyms: Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride

Database IDs

• CAS Number: 27744-59-8
• MDL Number: MFCD00155782
• PubChem SID: 162080355
• PubChem CID: 14787949

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.7397537
• LogD (pH = 7.4): 5.7397537
• Log P: 5.7397537
• Molar Refractivity: 50.8966 cm^3
• Polarizability: 20.213745 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Corrosive