cesium 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate

C3CsF7O5S2 — CID 23676032

IUPACcesium 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F.[Cs+]
InChIInChI=1S/C3HF7O5S2.Cs/c4-1(5,2(6,7)16(10,11)12)3(8,9)17(13,14)15;/h(H,13,14,15);/q;+1/p-1
InChIKeyZMEQZZLRTJSPKX-UHFFFAOYSA-M
MW446.05 g/mol
LogP-2.34
Rot. Bonds4

About cesium 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate

cesium 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate (PubChem CID 23676032) has the molecular formula C3CsF7O5S2 and a molecular weight of 446.05 g/mol. Its IUPAC name is cesium 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate.

Molecular Properties

Compound Namecesium 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate
PubChem CID23676032
Molecular FormulaC3CsF7O5S2
Molecular Weight446.05 g/mol
Exact Mass445.81
IUPAC Namecesium 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F.[Cs+]
InChIInChI=1S/C3HF7O5S2.Cs/c4-1(5,2(6,7)16(10,11)12)3(8,9)17(13,14)15;/h(H,13,14,15);/q;+1/p-1
InChIKeyZMEQZZLRTJSPKX-UHFFFAOYSA-M
XLogP-2.34
TPSA91.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.05
LogP ≤ 5-2.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

potassium 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate
CID 23676030
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane-1,8-disulfonate
CID 58716102
1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonate
CID 58716100
silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
CID 88642392
cesium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 87123612
bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium
CID 162115807
bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);mercury(2+)
CID 22604813
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-pentatriacontafluoroheptadecane-1-sulfonate
CID 23533140
sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 23671708
sulfanium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 22023912
sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro(113C)hexane-1-sulfonate
CID 169446237
tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);iron(3+)
CID 173403862

Frequently Asked Questions

What is the IUPAC name of cesium 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate?
The IUPAC name of cesium 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate (CID 23676032) is cesium 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate.
What is the SMILES notation for cesium 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate?
The canonical SMILES for cesium 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate is O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F.[Cs+].
What is the InChIKey of cesium 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate?
The InChIKey is ZMEQZZLRTJSPKX-UHFFFAOYSA-M. The full InChI is InChI=1S/C3HF7O5S2.Cs/c4-1(5,2(6,7)16(10,11)12)3(8,9)17(13,14)15;/h(H,13,14,15);/q;+1/p-1.
What are the key properties of cesium 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate?
cesium 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate has a molecular weight of 446.05 g/mol, XLogP of -2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate is sourced from PubChem (CID 23676032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).