lithium;bis(1,1,1,2,2,2-hexafluoroethane);hydride;sulfuric acid

C4H3F12LiO4S — CID 174415817

IUPAClithium;bis(1,1,1,2,2,2-hexafluoroethane);hydride;sulfuric acid
SMILESFC(F)(F)C(F)(F)F.FC(F)(F)C(F)(F)F.O=S(=O)(O)O.[H-].[Li+]
InChIInChI=1S/2C2F6.Li.H2O4S.H/c2*3-1(4,5)2(6,7)8;;1-5(2,3)4;/h;;;(H2,1,2,3,4);/q;;+1;;-1
InChIKeyXUMNPVMCMRYGHS-UHFFFAOYSA-N
MW382.05 g/mol
LogP0.69
Rot. Bonds

About lithium;bis(1,1,1,2,2,2-hexafluoroethane);hydride;sulfuric acid

lithium;bis(1,1,1,2,2,2-hexafluoroethane);hydride;sulfuric acid (PubChem CID 174415817) has the molecular formula C4H3F12LiO4S and a molecular weight of 382.05 g/mol. Its IUPAC name is lithium;bis(1,1,1,2,2,2-hexafluoroethane);hydride;sulfuric acid.

Molecular Properties

Compound Namelithium;bis(1,1,1,2,2,2-hexafluoroethane);hydride;sulfuric acid
PubChem CID174415817
Molecular FormulaC4H3F12LiO4S
Molecular Weight382.05 g/mol
Exact Mass381.97
IUPAC Namelithium;bis(1,1,1,2,2,2-hexafluoroethane);hydride;sulfuric acid
SMILESFC(F)(F)C(F)(F)F.FC(F)(F)C(F)(F)F.O=S(=O)(O)O.[H-].[Li+]
InChIInChI=1S/2C2F6.Li.H2O4S.H/c2*3-1(4,5)2(6,7)8;;1-5(2,3)4;/h;;;(H2,1,2,3,4);/q;;+1;;-1
InChIKeyXUMNPVMCMRYGHS-UHFFFAOYSA-N
XLogP0.69
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.05
LogP ≤ 50.69
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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Related Compounds

1,1,1,2,2,3,3,4,4,4-Decafluorobutane;sulfuric acid
CID 23205451
Lithium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid
CID 173279796
Bis(1,1,1,2,2,2-hexafluoroethane);sulfuric acid
CID 174440360

Frequently Asked Questions

What is the IUPAC name of lithium;bis(1,1,1,2,2,2-hexafluoroethane);hydride;sulfuric acid?
The IUPAC name of lithium;bis(1,1,1,2,2,2-hexafluoroethane);hydride;sulfuric acid (CID 174415817) is lithium;bis(1,1,1,2,2,2-hexafluoroethane);hydride;sulfuric acid.
What is the SMILES notation for lithium;bis(1,1,1,2,2,2-hexafluoroethane);hydride;sulfuric acid?
The canonical SMILES for lithium;bis(1,1,1,2,2,2-hexafluoroethane);hydride;sulfuric acid is FC(F)(F)C(F)(F)F.FC(F)(F)C(F)(F)F.O=S(=O)(O)O.[H-].[Li+].
What is the InChIKey of lithium;bis(1,1,1,2,2,2-hexafluoroethane);hydride;sulfuric acid?
The InChIKey is XUMNPVMCMRYGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2F6.Li.H2O4S.H/c2*3-1(4,5)2(6,7)8;;1-5(2,3)4;/h;;;(H2,1,2,3,4);/q;;+1;;-1.
What are the key properties of lithium;bis(1,1,1,2,2,2-hexafluoroethane);hydride;sulfuric acid?
lithium;bis(1,1,1,2,2,2-hexafluoroethane);hydride;sulfuric acid has a molecular weight of 382.05 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bis(1,1,1,2,2,2-hexafluoroethane);hydride;sulfuric acid is sourced from PubChem (CID 174415817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).