aluminum;barium(2+);gadolinium;hydride;zirconium;trifluoride

H2AlBaF3GdZr — CID 173254980

IUPACaluminum;barium(2+);gadolinium;hydride;zirconium;trifluoride
SMILES[Al+3].[Ba+2].[F-].[F-].[F-].[Gd].[H-].[H-].[Zr]
InChIInChI=1S/Al.Ba.3FH.Gd.Zr.2H/h;;3*1H;;;;/q+3;+2;;;;;;2*-1/p-3
InChIKeySTNDGGOXDXQXMG-UHFFFAOYSA-K
MW471.79 g/mol
LogP-9.53
Rot. Bonds

About aluminum;barium(2+);gadolinium;hydride;zirconium;trifluoride

aluminum;barium(2+);gadolinium;hydride;zirconium;trifluoride (PubChem CID 173254980) has the molecular formula H2AlBaF3GdZr and a molecular weight of 471.79 g/mol. Its IUPAC name is aluminum;barium(2+);gadolinium;hydride;zirconium;trifluoride.

Molecular Properties

Compound Namealuminum;barium(2+);gadolinium;hydride;zirconium;trifluoride
PubChem CID173254980
Molecular FormulaH2AlBaF3GdZr
Molecular Weight471.79 g/mol
Exact Mass471.73
IUPAC Namealuminum;barium(2+);gadolinium;hydride;zirconium;trifluoride
SMILES[Al+3].[Ba+2].[F-].[F-].[F-].[Gd].[H-].[H-].[Zr]
InChIInChI=1S/Al.Ba.3FH.Gd.Zr.2H/h;;3*1H;;;;/q+3;+2;;;;;;2*-1/p-3
InChIKeySTNDGGOXDXQXMG-UHFFFAOYSA-K
XLogP-9.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.79
LogP ≤ 5-9.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of aluminum;barium(2+);gadolinium;hydride;zirconium;trifluoride?
The IUPAC name of aluminum;barium(2+);gadolinium;hydride;zirconium;trifluoride (CID 173254980) is aluminum;barium(2+);gadolinium;hydride;zirconium;trifluoride.
What is the SMILES notation for aluminum;barium(2+);gadolinium;hydride;zirconium;trifluoride?
The canonical SMILES for aluminum;barium(2+);gadolinium;hydride;zirconium;trifluoride is [Al+3].[Ba+2].[F-].[F-].[F-].[Gd].[H-].[H-].[Zr].
What is the InChIKey of aluminum;barium(2+);gadolinium;hydride;zirconium;trifluoride?
The InChIKey is STNDGGOXDXQXMG-UHFFFAOYSA-K. The full InChI is InChI=1S/Al.Ba.3FH.Gd.Zr.2H/h;;3*1H;;;;/q+3;+2;;;;;;2*-1/p-3.
What are the key properties of aluminum;barium(2+);gadolinium;hydride;zirconium;trifluoride?
aluminum;barium(2+);gadolinium;hydride;zirconium;trifluoride has a molecular weight of 471.79 g/mol, XLogP of -9.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;barium(2+);gadolinium;hydride;zirconium;trifluoride is sourced from PubChem (CID 173254980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).