1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonic acid

C2HF5O5S2 — CID 15135176

IUPAC1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C2HF5O5S2/c3-1(4,13(7,8)9)2(5,6)14(10,11)12/h(H,10,11,12)
InChIKeyINGSRQUVJSHALN-UHFFFAOYSA-N
MW264.15 g/mol
LogP0.36
Rot. Bonds3

About 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonic acid

1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonic acid (PubChem CID 15135176) has the molecular formula C2HF5O5S2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonic acid.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonic acid
PubChem CID15135176
Molecular FormulaC2HF5O5S2
Molecular Weight264.15 g/mol
Exact Mass263.92
IUPAC Name1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C2HF5O5S2/c3-1(4,13(7,8)9)2(5,6)14(10,11)12/h(H,10,11,12)
InChIKeyINGSRQUVJSHALN-UHFFFAOYSA-N
XLogP0.36
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 50.36
H-Bond Donors ≤ 51
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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Related Compounds

lithium;hydride;bis(1,1,2,2-tetrafluoroethane-1,2-disulfonyl fluoride)
CID 173049005
lithium;hydride;1,1,2,2,2-pentafluoroethanesulfonic acid
CID 173036129
potassium;1,1,2,2,3,3-hexafluoropropane-1,3-disulfonic acid;hydride
CID 173109555
platinum;trifluoromethanesulfonic acid
CID 87655055
trifluoromethanesulfonic acid;zinc
CID 45051803
bis(trifluoromethanesulfonic acid);ytterbium
CID 72641674
osmium;bis(trifluoromethanesulfonic acid)
CID 174919112
trifluoromethanesulfonic acid;hydrofluoride
CID 87139590
bis(trifluoromethanesulfonic acid);zinc;hydrate
CID 175736701
azane;osmium;tris(trifluoromethanesulfonic acid)
CID 85298772
strontium;hydride;trifluoromethanesulfonic acid
CID 173218356
hafnium;trifluoromethanesulfonic acid;hydrate
CID 174756468

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonic acid?
The IUPAC name of 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonic acid (CID 15135176) is 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonic acid.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonic acid?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)S(=O)(=O)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonic acid?
The InChIKey is INGSRQUVJSHALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF5O5S2/c3-1(4,13(7,8)9)2(5,6)14(10,11)12/h(H,10,11,12).
What are the key properties of 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonic acid?
1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonic acid has a molecular weight of 264.15 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonic acid is sourced from PubChem (CID 15135176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).