1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane

C4H4F9O3SSb — CID 173196652

IUPAC1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane
SMILESO=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[SbH3]
InChIInChI=1S/C4HF9O3S.Sb.3H/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;;;;/h(H,14,15,16);;;;
InChIKeyVFODTLLCXAOKBK-UHFFFAOYSA-N
MW424.88 g/mol
LogP1.12
Rot. Bonds3

About 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane

1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane (PubChem CID 173196652) has the molecular formula C4H4F9O3SSb and a molecular weight of 424.88 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane
PubChem CID173196652
Molecular FormulaC4H4F9O3SSb
Molecular Weight424.88 g/mol
Exact Mass423.88
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane
SMILESO=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[SbH3]
InChIInChI=1S/C4HF9O3S.Sb.3H/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;;;;/h(H,14,15,16);;;;
InChIKeyVFODTLLCXAOKBK-UHFFFAOYSA-N
XLogP1.12
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid;hydrofluoride
CID 174742552
methanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 144756171
sodium perfluoroheptanesulfonate
CID 87558139
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid;zirconium
CID 174978551
gallane;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid
CID 173196655
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid;hydroiodide
CID 171922713
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid;ytterbium
CID 87251349
CID 87168941
CID 87168941
lithium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid
CID 173020254
sodium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonic acid;fluoride
CID 172818178
calcium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid;hydride
CID 173344438
methylsulfanylmethane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 162540843

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane (CID 173196652) is 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane is O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[SbH3].
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane?
The InChIKey is VFODTLLCXAOKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9O3S.Sb.3H/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;;;;/h(H,14,15,16);;;;.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane?
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane has a molecular weight of 424.88 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane is sourced from PubChem (CID 173196652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).