sodium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid

C4H3F10NaO4S — CID 173406048

IUPACsodium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C4F10.Na.H2O4S.H/c5-1(6,3(9,10)11)2(7,8)4(12,13)14;;1-5(2,3)4;/h;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyOCJAOZFSKNAMNN-UHFFFAOYSA-N
MW360.10 g/mol
LogP-0.15
Rot. Bonds1

About sodium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid

sodium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid (PubChem CID 173406048) has the molecular formula C4H3F10NaO4S and a molecular weight of 360.10 g/mol. Its IUPAC name is sodium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid.

Molecular Properties

Compound Namesodium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid
PubChem CID173406048
Molecular FormulaC4H3F10NaO4S
Molecular Weight360.10 g/mol
Exact Mass359.95
IUPAC Namesodium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C4F10.Na.H2O4S.H/c5-1(6,3(9,10)11)2(7,8)4(12,13)14;;1-5(2,3)4;/h;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyOCJAOZFSKNAMNN-UHFFFAOYSA-N
XLogP-0.15
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.10
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid?
The IUPAC name of sodium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid (CID 173406048) is sodium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid.
What is the SMILES notation for sodium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid?
The canonical SMILES for sodium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid?
The InChIKey is OCJAOZFSKNAMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F10.Na.H2O4S.H/c5-1(6,3(9,10)11)2(7,8)4(12,13)14;;1-5(2,3)4;/h;;(H2,1,2,3,4);/q;+1;;-1.
What are the key properties of sodium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid?
sodium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid has a molecular weight of 360.10 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid is sourced from PubChem (CID 173406048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).