cesium 1-fluorobutane-1-sulfonate

C4H8CsFO3S — CID 141058124

IUPACcesium 1-fluorobutane-1-sulfonate
SMILESCCCC(F)S(=O)(=O)[O-].[Cs+]
InChIInChI=1S/C4H9FO3S.Cs/c1-2-3-4(5)9(6,7)8;/h4H,2-3H2,1H3,(H,6,7,8);/q;+1/p-1
InChIKeyUCEAWDCDNLKYLY-UHFFFAOYSA-M
MW288.08 g/mol
LogP-2.37
Rot. Bonds3

About cesium 1-fluorobutane-1-sulfonate

cesium 1-fluorobutane-1-sulfonate (PubChem CID 141058124) has the molecular formula C4H8CsFO3S and a molecular weight of 288.08 g/mol. Its IUPAC name is cesium 1-fluorobutane-1-sulfonate.

Molecular Properties

Compound Namecesium 1-fluorobutane-1-sulfonate
PubChem CID141058124
Molecular FormulaC4H8CsFO3S
Molecular Weight288.08 g/mol
Exact Mass287.92
IUPAC Namecesium 1-fluorobutane-1-sulfonate
SMILESCCCC(F)S(=O)(=O)[O-].[Cs+]
InChIInChI=1S/C4H9FO3S.Cs/c1-2-3-4(5)9(6,7)8;/h4H,2-3H2,1H3,(H,6,7,8);/q;+1/p-1
InChIKeyUCEAWDCDNLKYLY-UHFFFAOYSA-M
XLogP-2.37
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.08
LogP ≤ 5-2.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

benzyl(trimethyl)azanium;1-fluorobutane-1-sulfonate
CID 141043199
1-fluorotridecane-1-sulfonate;tetraethylazanium
CID 175169850
dimethylazanium;1,5,5,5-tetrafluoropentane-1-sulfonate
CID 141492076
azanium 1,5,5,5-tetrafluoropentane-1-sulfonate
CID 141492353
4,4-difluorobutane-1-sulfonate;dimethylazanium
CID 134206809
dimethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate
CID 141492373
dimethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate
CID 141492118
tetraethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate
CID 141492364
tetraethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate
CID 141491935
tetraethylazanium;1,11,11,11-tetrafluoroundecane-1-sulfonate
CID 141492644
8,8-difluorooctane-1-sulfonate;dimethylazanium
CID 134207248
potassium 1,8,8,8-tetrafluorooctane-1-sulfonate
CID 141491902

Frequently Asked Questions

What is the IUPAC name of cesium 1-fluorobutane-1-sulfonate?
The IUPAC name of cesium 1-fluorobutane-1-sulfonate (CID 141058124) is cesium 1-fluorobutane-1-sulfonate.
What is the SMILES notation for cesium 1-fluorobutane-1-sulfonate?
The canonical SMILES for cesium 1-fluorobutane-1-sulfonate is CCCC(F)S(=O)(=O)[O-].[Cs+].
What is the InChIKey of cesium 1-fluorobutane-1-sulfonate?
The InChIKey is UCEAWDCDNLKYLY-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9FO3S.Cs/c1-2-3-4(5)9(6,7)8;/h4H,2-3H2,1H3,(H,6,7,8);/q;+1/p-1.
What are the key properties of cesium 1-fluorobutane-1-sulfonate?
cesium 1-fluorobutane-1-sulfonate has a molecular weight of 288.08 g/mol, XLogP of -2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 1-fluorobutane-1-sulfonate is sourced from PubChem (CID 141058124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).