1,1,2,2-tetrafluoro-2-(pentafluoroethoxy)ethane-1-sulfonyl fluoride

• ChemBase ID: 93555
• Molecular Formular: C4F10O3S
• Molecular Mass: 318.090032
• Monoisotopic Mass: 317.94084706
• SMILES: O(C(F)(F)C(F)(F)F)C(F)(F)C(S(=O)(=O)F)(F)F
• Canonical SMILES: FC(C(F)(F)F)(OC(C(S(=O)(=O)F)(F)F)(F)F)F
• InChI: InChI=1S/C4F10O3S/c5-1(6,7)2(8,9)17-3(10,11)4(12,13)18(14,15)16
• InChIKey: IRSPIQIRIUYUGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2-tetrafluoro-2-(pentafluoroethoxy)ethane-1-sulfonyl fluoride
• IUPAC Traditional name: 1,1,2,2-tetrafluoro-2-(pentafluoroethoxy)ethanesulfonyl fluoride
• Synonyms: Perfluoro(2-ethoxyethane)sulphonyl fluoride

Database IDs

• CAS Number: 67990-78-7
• MDL Number: MFCD00155956
• PubChem SID: 162080240
• PubChem CID: 2782567

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3530805
• LogD (pH = 7.4): 3.3530805
• Log P: 3.3530805
• Molar Refractivity: 34.0813 cm^3
• Polarizability: 13.636746 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Irritant/Moisture Sensitive