1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)-N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylethanesulfonamide

C8H3F16NO6S2 — CID 50851123

IUPAC1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)-N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylethanesulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)F)C(F)(F)C(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C8H3F16NO6S2/c9-1(10)3(13,14)30-5(17,18)7(21,22)32(26,27)25-33(28,29)8(23,24)6(19,20)31-4(15,16)2(11)12/h1-2,25H
InChIKeyLJMMGBYPXONIRS-UHFFFAOYSA-N
MW577.22 g/mol
LogP3.36
Rot. Bonds12

About 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)-N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylethanesulfonamide

1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)-N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylethanesulfonamide (PubChem CID 50851123) has the molecular formula C8H3F16NO6S2 and a molecular weight of 577.22 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)-N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)-N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylethanesulfonamide
PubChem CID50851123
Molecular FormulaC8H3F16NO6S2
Molecular Weight577.22 g/mol
Exact Mass576.91
IUPAC Name1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)-N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylethanesulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)F)C(F)(F)C(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C8H3F16NO6S2/c9-1(10)3(13,14)30-5(17,18)7(21,22)32(26,27)25-33(28,29)8(23,24)6(19,20)31-4(15,16)2(11)12/h1-2,25H
InChIKeyLJMMGBYPXONIRS-UHFFFAOYSA-N
XLogP3.36
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.22
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)-N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylethanesulfonamide?
The IUPAC name of 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)-N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylethanesulfonamide (CID 50851123) is 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)-N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylethanesulfonamide.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)-N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylethanesulfonamide?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)-N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylethanesulfonamide is O=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)F)C(F)(F)C(F)(F)OC(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)-N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylethanesulfonamide?
The InChIKey is LJMMGBYPXONIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F16NO6S2/c9-1(10)3(13,14)30-5(17,18)7(21,22)32(26,27)25-33(28,29)8(23,24)6(19,20)31-4(15,16)2(11)12/h1-2,25H.
What are the key properties of 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)-N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylethanesulfonamide?
1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)-N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylethanesulfonamide has a molecular weight of 577.22 g/mol, XLogP of 3.36, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)-N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylethanesulfonamide is sourced from PubChem (CID 50851123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).