1,1,2,2,2-pentafluoroethyl ethenesulfonate

C4H3F5O3S — CID 90383879

IUPAC1,1,2,2,2-pentafluoroethyl ethenesulfonate
SMILESC=CS(=O)(=O)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F5O3S/c1-2-13(10,11)12-4(8,9)3(5,6)7/h2H,1H2
InChIKeyUUXBUIOTKLDFRQ-UHFFFAOYSA-N
MW226.12 g/mol
LogP1.63
Rot. Bonds3

About 1,1,2,2,2-pentafluoroethyl ethenesulfonate

1,1,2,2,2-pentafluoroethyl ethenesulfonate (PubChem CID 90383879) has the molecular formula C4H3F5O3S and a molecular weight of 226.12 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethyl ethenesulfonate.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethyl ethenesulfonate
PubChem CID90383879
Molecular FormulaC4H3F5O3S
Molecular Weight226.12 g/mol
Exact Mass225.97
IUPAC Name1,1,2,2,2-pentafluoroethyl ethenesulfonate
SMILESC=CS(=O)(=O)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F5O3S/c1-2-13(10,11)12-4(8,9)3(5,6)7/h2H,1H2
InChIKeyUUXBUIOTKLDFRQ-UHFFFAOYSA-N
XLogP1.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,2-pentafluoroethyl pentane-1-sulfonate
CID 175529337
1-ethenylsulfonyloxyethyl ethenesulfonate
CID 175406937
fluoromethyl ethenesulfonate
CID 90383884
ethenylsulfonyl sulfite
CID 118684485
1,1,2,2-tetrafluoro-1,2-bis(fluorosulfonyloxy)ethane
CID 12665878
1,1,2,2,2-pentafluoroethyl difluoro-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanesulfonate
CID 87672927
1,1,2,2,2-pentafluoroethyl pentane-1-sulfonate;tetraethylazanium
CID 175529336
4-ethenylsulfonyloxybut-2-enyl ethenesulfonate
CID 123832302
bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] sulfate
CID 87154608
1-chlorosulfonyloxy-1,1,2,2,3,3,3-heptafluoropropane
CID 24972775
1,1,2,2,3,3,3-heptafluoropropyl methanesulfonate
CID 87623488
(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) hydrogen sulfate
CID 87625622

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoroethyl ethenesulfonate?
The IUPAC name of 1,1,2,2,2-pentafluoroethyl ethenesulfonate (CID 90383879) is 1,1,2,2,2-pentafluoroethyl ethenesulfonate.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethyl ethenesulfonate?
The canonical SMILES for 1,1,2,2,2-pentafluoroethyl ethenesulfonate is C=CS(=O)(=O)OC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoroethyl ethenesulfonate?
The InChIKey is UUXBUIOTKLDFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5O3S/c1-2-13(10,11)12-4(8,9)3(5,6)7/h2H,1H2.
What are the key properties of 1,1,2,2,2-pentafluoroethyl ethenesulfonate?
1,1,2,2,2-pentafluoroethyl ethenesulfonate has a molecular weight of 226.12 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethyl ethenesulfonate is sourced from PubChem (CID 90383879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).