bis(4,7-dimethyl-1H-inden-1-ide);zirconium(4+);difluoride

C22H22F2Zr — CID 87203456

IUPACbis(4,7-dimethyl-1H-inden-1-ide);zirconium(4+);difluoride
SMILESCc1ccc(C)c2[cH-]ccc12.Cc1ccc(C)c2[cH-]ccc12.[F-].[F-].[Zr+4]
InChIInChI=1S/2C11H11.2FH.Zr/c2*1-8-6-7-9(2)11-5-3-4-10(8)11;;;/h2*3-7H,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyYYEGWLPNJHDRGM-UHFFFAOYSA-L
MW415.64 g/mol
LogP0.36
Rot. Bonds

About bis(4,7-dimethyl-1H-inden-1-ide);zirconium(4+);difluoride

bis(4,7-dimethyl-1H-inden-1-ide);zirconium(4+);difluoride (PubChem CID 87203456) has the molecular formula C22H22F2Zr and a molecular weight of 415.64 g/mol. Its IUPAC name is bis(4,7-dimethyl-1H-inden-1-ide);zirconium(4+);difluoride.

Molecular Properties

Compound Namebis(4,7-dimethyl-1H-inden-1-ide);zirconium(4+);difluoride
PubChem CID87203456
Molecular FormulaC22H22F2Zr
Molecular Weight415.64 g/mol
Exact Mass414.07
IUPAC Namebis(4,7-dimethyl-1H-inden-1-ide);zirconium(4+);difluoride
SMILESCc1ccc(C)c2[cH-]ccc12.Cc1ccc(C)c2[cH-]ccc12.[F-].[F-].[Zr+4]
InChIInChI=1S/2C11H11.2FH.Zr/c2*1-8-6-7-9(2)11-5-3-4-10(8)11;;;/h2*3-7H,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyYYEGWLPNJHDRGM-UHFFFAOYSA-L
XLogP0.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.64
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4,7-dimethyl-1H-inden-1-ide);zirconium(4+);difluoride?
The IUPAC name of bis(4,7-dimethyl-1H-inden-1-ide);zirconium(4+);difluoride (CID 87203456) is bis(4,7-dimethyl-1H-inden-1-ide);zirconium(4+);difluoride.
What is the SMILES notation for bis(4,7-dimethyl-1H-inden-1-ide);zirconium(4+);difluoride?
The canonical SMILES for bis(4,7-dimethyl-1H-inden-1-ide);zirconium(4+);difluoride is Cc1ccc(C)c2[cH-]ccc12.Cc1ccc(C)c2[cH-]ccc12.[F-].[F-].[Zr+4].
What is the InChIKey of bis(4,7-dimethyl-1H-inden-1-ide);zirconium(4+);difluoride?
The InChIKey is YYEGWLPNJHDRGM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H11.2FH.Zr/c2*1-8-6-7-9(2)11-5-3-4-10(8)11;;;/h2*3-7H,1-2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(4,7-dimethyl-1H-inden-1-ide);zirconium(4+);difluoride?
bis(4,7-dimethyl-1H-inden-1-ide);zirconium(4+);difluoride has a molecular weight of 415.64 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,7-dimethyl-1H-inden-1-ide);zirconium(4+);difluoride is sourced from PubChem (CID 87203456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).