1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonate

C4HF8O4S- — CID 58667676

IUPAC1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C4H2F8O4S/c5-1(6)2(7,8)16-3(9,10)4(11,12)17(13,14)15/h1H,(H,13,14,15)/p-1
InChIKeyFBHVKOTUBJVWJB-UHFFFAOYSA-M
MW297.10 g/mol
LogP1.59
Rot. Bonds5

About 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonate

1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonate (PubChem CID 58667676) has the molecular formula C4HF8O4S- and a molecular weight of 297.10 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonate.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonate
PubChem CID58667676
Molecular FormulaC4HF8O4S-
Molecular Weight297.10 g/mol
Exact Mass296.95
IUPAC Name1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C4H2F8O4S/c5-1(6)2(7,8)16-3(9,10)4(11,12)17(13,14)15/h1H,(H,13,14,15)/p-1
InChIKeyFBHVKOTUBJVWJB-UHFFFAOYSA-M
XLogP1.59
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.10
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', '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)ethanesulfonate?
The IUPAC name of 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonate (CID 58667676) is 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonate.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonate?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonate is O=S(=O)([O-])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)ethanesulfonate?
The InChIKey is FBHVKOTUBJVWJB-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H2F8O4S/c5-1(6)2(7,8)16-3(9,10)4(11,12)17(13,14)15/h1H,(H,13,14,15)/p-1.
What are the key properties of 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonate?
1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonate has a molecular weight of 297.10 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonate is sourced from PubChem (CID 58667676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).