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

C4H2F8O6S2 — CID 13231618

IUPAC1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-sulfinoethoxy)ethanesulfonic acid
SMILESO=S(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C4H2F8O6S2/c5-1(6,3(9,10)19(13)14)18-2(7,8)4(11,12)20(15,16)17/h(H,13,14)(H,15,16,17)
InChIKeyCSFOVOOFUQCBGG-UHFFFAOYSA-N
MW362.17 g/mol
LogP1.48
Rot. Bonds6

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

1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-sulfinoethoxy)ethanesulfonic acid (PubChem CID 13231618) has the molecular formula C4H2F8O6S2 and a molecular weight of 362.17 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-sulfinoethoxy)ethanesulfonic acid.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-sulfinoethoxy)ethanesulfonic acid
PubChem CID13231618
Molecular FormulaC4H2F8O6S2
Molecular Weight362.17 g/mol
Exact Mass361.92
IUPAC Name1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-sulfinoethoxy)ethanesulfonic acid
SMILESO=S(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C4H2F8O6S2/c5-1(6,3(9,10)19(13)14)18-2(7,8)4(11,12)20(15,16)17/h(H,13,14)(H,15,16,17)
InChIKeyCSFOVOOFUQCBGG-UHFFFAOYSA-N
XLogP1.48
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', '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-tetrafluoro-2-sulfinoethoxy)ethanesulfonic acid?
The IUPAC name of 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-sulfinoethoxy)ethanesulfonic acid (CID 13231618) is 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-sulfinoethoxy)ethanesulfonic acid.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-sulfinoethoxy)ethanesulfonic acid?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-sulfinoethoxy)ethanesulfonic acid is O=S(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)O.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-sulfinoethoxy)ethanesulfonic acid?
The InChIKey is CSFOVOOFUQCBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F8O6S2/c5-1(6,3(9,10)19(13)14)18-2(7,8)4(11,12)20(15,16)17/h(H,13,14)(H,15,16,17).
What are the key properties of 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-sulfinoethoxy)ethanesulfonic acid?
1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-sulfinoethoxy)ethanesulfonic acid has a molecular weight of 362.17 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 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-tetrafluoro-2-sulfinoethoxy)ethanesulfonic acid is sourced from PubChem (CID 13231618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).