1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(fluorosulfonyl)ethoxy]ethane-1-sulfonyl fluoride

• ChemBase ID: 11817
• Molecular Formular: C4F10O5S2
• Molecular Mass: 382.153832
• Monoisotopic Mass: 381.9027473
• SMILES: O(C(C(S(=O)(=O)F)(F)F)(F)F)C(C(S(=O)(=O)F)(F)F)(F)F
• Canonical SMILES: FC(C(S(=O)(=O)F)(F)F)(OC(C(S(=O)(=O)F)(F)F)(F)F)F
• InChI: InChI=1S/C4F10O5S2/c5-1(6,3(9,10)20(13,15)16)19-2(7,8)4(11,12)21(14,17)18
• InChIKey: LKJIAQKFEYWIKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(fluorosulfonyl)ethoxy]ethane-1-sulfonyl fluoride
• IUPAC Traditional name: 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(fluorosulfonyl)ethoxy]ethanesulfonyl fluoride
• Synonyms: Bis[2-(fluorosulfonyl)tetrafluoroethyl]ether; Bis(2-fluorosulphonyltetrafluoroethyl) ether

Database IDs

• CAS Number: 146829-79-0
• MDL Number: MFCD03094207
• PubChem SID: 160975124
• PubChem CID: 2778250

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.9751418
• LogD (pH = 7.4): 2.9751418
• Log P: 2.9751418
• Molar Refractivity: 43.1197 cm^3
• Polarizability: 17.903229 Å^3
• Polar Surface Area: 77.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 98%