1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid;hydrofluoride

C4H2F8O4S — CID 156540494

IUPAC1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid;hydrofluoride
SMILESF.O=S(=O)(O)C(F)(F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C4HF7O4S.FH/c5-1(6)2(7)15-3(8,9)4(10,11)16(12,13)14;/h(H,12,13,14);1H
InChIKeyVSEYXNQANIZEOZ-UHFFFAOYSA-N
MW298.11 g/mol
LogP2.26
Rot. Bonds4

About 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid;hydrofluoride

1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid;hydrofluoride (PubChem CID 156540494) 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-trifluoroethenoxy)ethanesulfonic acid;hydrofluoride.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid;hydrofluoride
PubChem CID156540494
Molecular FormulaC4H2F8O4S
Molecular Weight298.11 g/mol
Exact Mass297.95
IUPAC Name1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid;hydrofluoride
SMILESF.O=S(=O)(O)C(F)(F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C4HF7O4S.FH/c5-1(6)2(7)15-3(8,9)4(10,11)16(12,13)14;/h(H,12,13,14);1H
InChIKeyVSEYXNQANIZEOZ-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid;hydrofluoride?
The IUPAC name of 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid;hydrofluoride (CID 156540494) is 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid;hydrofluoride.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid;hydrofluoride?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid;hydrofluoride is F.O=S(=O)(O)C(F)(F)C(F)(F)OC(F)=C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid;hydrofluoride?
The InChIKey is VSEYXNQANIZEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF7O4S.FH/c5-1(6)2(7)15-3(8,9)4(10,11)16(12,13)14;/h(H,12,13,14);1H.
What are the key properties of 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid;hydrofluoride?
1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid;hydrofluoride has a molecular weight of 298.11 g/mol, XLogP of 2.26, 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-trifluoroethenoxy)ethanesulfonic acid;hydrofluoride is sourced from PubChem (CID 156540494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).