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

C4H3F10LiO4S — CID 173279796

IUPAClithium;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-].[Li+]
InChIInChI=1S/C4F10.Li.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
InChIKeyXLEIBHBWJYGIMB-UHFFFAOYSA-N
MW344.05 g/mol
LogP-0.15
Rot. Bonds1

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

lithium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid (PubChem CID 173279796) has the molecular formula C4H3F10LiO4S and a molecular weight of 344.05 g/mol. Its IUPAC name is lithium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid.

Molecular Properties

Compound Namelithium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid
PubChem CID173279796
Molecular FormulaC4H3F10LiO4S
Molecular Weight344.05 g/mol
Exact Mass343.98
IUPAC Namelithium;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-].[Li+]
InChIInChI=1S/C4F10.Li.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
InChIKeyXLEIBHBWJYGIMB-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 ≤ 500344.05
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'}

Analyze lithium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid?
The IUPAC name of lithium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid (CID 173279796) is lithium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid.
What is the SMILES notation for lithium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid?
The canonical SMILES for lithium;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-].[Li+].
What is the InChIKey of lithium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid?
The InChIKey is XLEIBHBWJYGIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F10.Li.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 lithium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid?
lithium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid has a molecular weight of 344.05 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 lithium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid is sourced from PubChem (CID 173279796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).