1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid

C6HF11O5S — CID 22568744

IUPAC1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C6HF11O5S/c7-1(8)2(9)21-3(10,11)4(12,13)22-5(14,15)6(16,17)23(18,19)20/h(H,18,19,20)
InChIKeyOWKUQZQBXSAPFR-UHFFFAOYSA-N
MW394.11 g/mol
LogP3.31
Rot. Bonds7

About 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid

1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid (PubChem CID 22568744) has the molecular formula C6HF11O5S and a molecular weight of 394.11 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid
PubChem CID22568744
Molecular FormulaC6HF11O5S
Molecular Weight394.11 g/mol
Exact Mass393.94
IUPAC Name1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C6HF11O5S/c7-1(8)2(9)21-3(10,11)4(12,13)22-5(14,15)6(16,17)23(18,19)20/h(H,18,19,20)
InChIKeyOWKUQZQBXSAPFR-UHFFFAOYSA-N
XLogP3.31
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.11
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Perfluoro(2-ethoxyethane)sulfonic acid
CID 2776108
PFSA-ether; C6HF13O5S
CID 22568736
1,1,2,2-Tetrafluoroethene;1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid
CID 44153897
mOPFLSA n=3
CID 139594690
Perfluoro-3,6-dioxa-4-methyl-7-octene-1-sulfonic acid
CID 61890
Nafion Monomers
CID 61889
Perfluoro(4-methyl-3,6-dioxaoctane)sulfonic acid
CID 4604312
1,1,2,2-Tetrafluoro-2-(1,2,2-trifluorovinyloxy)ethanesulfonic acid
CID 11781540
2-(2-Sulfonato-1,1,2,2-tetrafluoroethoxy)-3-(trifluorovinyloxy)-1,1,1,2,3,3-hexafluoropropane
CID 18695075
PFSA-ether; C5HF11O5S
CID 20758406
1,1,2,2-Tetrafluoroethene;1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfinic acid
CID 44150665
Perfluoro diethernonane sulfonic acid
CID 163324855

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid?
The IUPAC name of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid (CID 22568744) is 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)=C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid?
The InChIKey is OWKUQZQBXSAPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF11O5S/c7-1(8)2(9)21-3(10,11)4(12,13)22-5(14,15)6(16,17)23(18,19)20/h(H,18,19,20).
What are the key properties of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid?
1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid has a molecular weight of 394.11 g/mol, XLogP of 3.31, 7 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-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid is sourced from PubChem (CID 22568744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).