1,1,2,2,2-pentafluoroethanesulfonate

C2F5O3S- — CID 22062497

IUPAC1,1,2,2,2-pentafluoroethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)F
InChIInChI=1S/C2HF5O3S/c3-1(4,5)2(6,7)11(8,9)10/h(H,8,9,10)/p-1
InChIKeyGKNWQHIXXANPTN-UHFFFAOYSA-M
MW199.08 g/mol
LogP0.69
Rot. Bonds1

About 1,1,2,2,2-pentafluoroethanesulfonate

1,1,2,2,2-pentafluoroethanesulfonate (PubChem CID 22062497) has the molecular formula C2F5O3S- and a molecular weight of 199.08 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethanesulfonate.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethanesulfonate
PubChem CID22062497
Molecular FormulaC2F5O3S-
Molecular Weight199.08 g/mol
Exact Mass198.95
IUPAC Name1,1,2,2,2-pentafluoroethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)F
InChIInChI=1S/C2HF5O3S/c3-1(4,5)2(6,7)11(8,9)10/h(H,8,9,10)/p-1
InChIKeyGKNWQHIXXANPTN-UHFFFAOYSA-M
XLogP0.69
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.08
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

dilithium bis(1,1,2,2,2-pentafluoroethanesulfonate)
CID 153294032
potassium 1,1,2,2,2-pentafluoroethanesulfonate
CID 23666373
1,1,2,2,2-pentafluoroethanesulfonate;tetramethylazanium
CID 139914355
silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
CID 88642392
bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);mercury(2+)
CID 22604813
bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium
CID 162115807
pentakis(trifluoromethanesulfonate);vanadium
CID 140617079
scandium(3+);bis(trifluoromethanesulfonate)
CID 135121751
CID 170997250
CID 170997250
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonate
CID 58716100

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoroethanesulfonate?
The IUPAC name of 1,1,2,2,2-pentafluoroethanesulfonate (CID 22062497) is 1,1,2,2,2-pentafluoroethanesulfonate.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethanesulfonate?
The canonical SMILES for 1,1,2,2,2-pentafluoroethanesulfonate is O=S(=O)([O-])C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoroethanesulfonate?
The InChIKey is GKNWQHIXXANPTN-UHFFFAOYSA-M. The full InChI is InChI=1S/C2HF5O3S/c3-1(4,5)2(6,7)11(8,9)10/h(H,8,9,10)/p-1.
What are the key properties of 1,1,2,2,2-pentafluoroethanesulfonate?
1,1,2,2,2-pentafluoroethanesulfonate has a molecular weight of 199.08 g/mol, XLogP of 0.69, 1 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-pentafluoroethanesulfonate is sourced from PubChem (CID 22062497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).