fluoro sulfate;tetrabutylazanium

C16H36FNO4S — CID 87072761

IUPACfluoro sulfate;tetrabutylazanium
SMILESCCCC[N+](CCCC)(CCCC)CCCC.O=S(=O)([O-])OF
InChIInChI=1S/C16H36N.FHO4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5-6(2,3)4/h5-16H2,1-4H3;(H,2,3,4)/q+1;/p-1
InChIKeyPLGOFFRGWSGEED-UHFFFAOYSA-M
MW357.53 g/mol
LogP4.35
Rot. Bonds13

About fluoro sulfate;tetrabutylazanium

fluoro sulfate;tetrabutylazanium (PubChem CID 87072761) has the molecular formula C16H36FNO4S and a molecular weight of 357.53 g/mol. Its IUPAC name is fluoro sulfate;tetrabutylazanium.

Molecular Properties

Compound Namefluoro sulfate;tetrabutylazanium
PubChem CID87072761
Molecular FormulaC16H36FNO4S
Molecular Weight357.53 g/mol
Exact Mass357.23
IUPAC Namefluoro sulfate;tetrabutylazanium
SMILESCCCC[N+](CCCC)(CCCC)CCCC.O=S(=O)([O-])OF
InChIInChI=1S/C16H36N.FHO4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5-6(2,3)4/h5-16H2,1-4H3;(H,2,3,4)/q+1;/p-1
InChIKeyPLGOFFRGWSGEED-UHFFFAOYSA-M
XLogP4.35
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

hydrogen sulfate;tetrabutylazanium
CID 520578
hydrogen sulfate;hydroxy sulfate;pentakis(tetrabutylazanium);sulfate
CID 11115952
butyl(trihexadecyl)azanium;hydrogen sulfate
CID 140570198
tetrabutylazanium;trifluoromethanesulfonimidate
CID 170352651
sulfuric acid;tetrabutylazanium;hydroiodide
CID 175178056
bis(triethyl(hexadecyl)azanium);sulfate
CID 139922163
ethyl sulfate;triethyl(octadecyl)azanium
CID 22993117
methyl sulfate;tris(2-hydroxyethyl)-octadecylazanium
CID 158435690
bis(iron(3+));tris(tetrabutylazanium);triisothiocyanate;trisulfate
CID 173117253
methyl sulfate;bis(tetrabutylazanium);bis(triphenylene-2,3,6,7,10,11-hexol)
CID 139201924
sulfoazanide;tetrabutylazanium
CID 88740579
[tri(henicosyl)azaniumyl]methanesulfonate
CID 177485685

Frequently Asked Questions

What is the IUPAC name of fluoro sulfate;tetrabutylazanium?
The IUPAC name of fluoro sulfate;tetrabutylazanium (CID 87072761) is fluoro sulfate;tetrabutylazanium.
What is the SMILES notation for fluoro sulfate;tetrabutylazanium?
The canonical SMILES for fluoro sulfate;tetrabutylazanium is CCCC[N+](CCCC)(CCCC)CCCC.O=S(=O)([O-])OF.
What is the InChIKey of fluoro sulfate;tetrabutylazanium?
The InChIKey is PLGOFFRGWSGEED-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36N.FHO4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5-6(2,3)4/h5-16H2,1-4H3;(H,2,3,4)/q+1;/p-1.
What are the key properties of fluoro sulfate;tetrabutylazanium?
fluoro sulfate;tetrabutylazanium has a molecular weight of 357.53 g/mol, XLogP of 4.35, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro sulfate;tetrabutylazanium is sourced from PubChem (CID 87072761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).