cesium 1,1,2,2-tetrafluoro-2-(4-fluorophenyl)sulfanylethanesulfinate

C8H4CsF5O2S2 — CID 23726133

IUPACcesium 1,1,2,2-tetrafluoro-2-(4-fluorophenyl)sulfanylethanesulfinate
SMILESO=S([O-])C(F)(F)C(F)(F)Sc1ccc(F)cc1.[Cs+]
InChIInChI=1S/C8H5F5O2S2.Cs/c9-5-1-3-6(4-2-5)16-7(10,11)8(12,13)17(14)15;/h1-4H,(H,14,15);/q;+1/p-1
InChIKeyWVBSLQPUUQAQNI-UHFFFAOYSA-M
MW424.15 g/mol
LogP-0.01
Rot. Bonds4

About cesium 1,1,2,2-tetrafluoro-2-(4-fluorophenyl)sulfanylethanesulfinate

cesium 1,1,2,2-tetrafluoro-2-(4-fluorophenyl)sulfanylethanesulfinate (PubChem CID 23726133) has the molecular formula C8H4CsF5O2S2 and a molecular weight of 424.15 g/mol. Its IUPAC name is cesium 1,1,2,2-tetrafluoro-2-(4-fluorophenyl)sulfanylethanesulfinate.

Molecular Properties

Compound Namecesium 1,1,2,2-tetrafluoro-2-(4-fluorophenyl)sulfanylethanesulfinate
PubChem CID23726133
Molecular FormulaC8H4CsF5O2S2
Molecular Weight424.15 g/mol
Exact Mass423.86
IUPAC Namecesium 1,1,2,2-tetrafluoro-2-(4-fluorophenyl)sulfanylethanesulfinate
SMILESO=S([O-])C(F)(F)C(F)(F)Sc1ccc(F)cc1.[Cs+]
InChIInChI=1S/C8H5F5O2S2.Cs/c9-5-1-3-6(4-2-5)16-7(10,11)8(12,13)17(14)15;/h1-4H,(H,14,15);/q;+1/p-1
InChIKeyWVBSLQPUUQAQNI-UHFFFAOYSA-M
XLogP-0.01
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.15
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cesium 1,1,2,2-tetrafluoro-2-(4-fluorophenyl)sulfanylethanesulfinate?
The IUPAC name of cesium 1,1,2,2-tetrafluoro-2-(4-fluorophenyl)sulfanylethanesulfinate (CID 23726133) is cesium 1,1,2,2-tetrafluoro-2-(4-fluorophenyl)sulfanylethanesulfinate.
What is the SMILES notation for cesium 1,1,2,2-tetrafluoro-2-(4-fluorophenyl)sulfanylethanesulfinate?
The canonical SMILES for cesium 1,1,2,2-tetrafluoro-2-(4-fluorophenyl)sulfanylethanesulfinate is O=S([O-])C(F)(F)C(F)(F)Sc1ccc(F)cc1.[Cs+].
What is the InChIKey of cesium 1,1,2,2-tetrafluoro-2-(4-fluorophenyl)sulfanylethanesulfinate?
The InChIKey is WVBSLQPUUQAQNI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H5F5O2S2.Cs/c9-5-1-3-6(4-2-5)16-7(10,11)8(12,13)17(14)15;/h1-4H,(H,14,15);/q;+1/p-1.
What are the key properties of cesium 1,1,2,2-tetrafluoro-2-(4-fluorophenyl)sulfanylethanesulfinate?
cesium 1,1,2,2-tetrafluoro-2-(4-fluorophenyl)sulfanylethanesulfinate has a molecular weight of 424.15 g/mol, XLogP of -0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 1,1,2,2-tetrafluoro-2-(4-fluorophenyl)sulfanylethanesulfinate is sourced from PubChem (CID 23726133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).