1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonic acid

C4H2F8O4S — CID 87285272

IUPAC1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)OC(F)C(F)(F)F
InChIInChI=1S/C4H2F8O4S/c5-1(2(6,7)8)16-3(9,10)4(11,12)17(13,14)15/h1H,(H,13,14,15)
InChIKeyJOYBOBIZKIJEDU-UHFFFAOYSA-N
MW298.11 g/mol
LogP1.93
Rot. Bonds4

About 1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonic acid

1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonic acid (PubChem CID 87285272) has the molecular formula C4H2F8O4S and a molecular weight of 298.11 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonic acid.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonic acid
PubChem CID87285272
Molecular FormulaC4H2F8O4S
Molecular Weight298.11 g/mol
Exact Mass297.95
IUPAC Name1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)OC(F)C(F)(F)F
InChIInChI=1S/C4H2F8O4S/c5-1(2(6,7)8)16-3(9,10)4(11,12)17(13,14)15/h1H,(H,13,14,15)
InChIKeyJOYBOBIZKIJEDU-UHFFFAOYSA-N
XLogP1.93
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,2,2,2-tetrafluoroethoxy)ethanesulfonic acid?
The IUPAC name of 1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonic acid (CID 87285272) is 1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonic acid.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonic acid?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)OC(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonic acid?
The InChIKey is JOYBOBIZKIJEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F8O4S/c5-1(2(6,7)8)16-3(9,10)4(11,12)17(13,14)15/h1H,(H,13,14,15).
What are the key properties of 1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonic acid?
1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonic acid has a molecular weight of 298.11 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonic acid is sourced from PubChem (CID 87285272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).