bis(2-fluorophenol);zirconium(2+);dichloride

C12H10Cl2F2O2Zr — CID 174353098

IUPACbis(2-fluorophenol);zirconium(2+);dichloride
SMILESOc1ccccc1F.Oc1ccccc1F.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/2C6H5FO.2ClH.Zr/c2*7-5-3-1-2-4-6(5)8;;;/h2*1-4,8H;2*1H;/q;;;;+2/p-2
InChIKeyREYZEOZOJVCZEG-UHFFFAOYSA-L
MW386.34 g/mol
LogP-2.93
Rot. Bonds

About bis(2-fluorophenol);zirconium(2+);dichloride

bis(2-fluorophenol);zirconium(2+);dichloride (PubChem CID 174353098) has the molecular formula C12H10Cl2F2O2Zr and a molecular weight of 386.34 g/mol. Its IUPAC name is bis(2-fluorophenol);zirconium(2+);dichloride.

Molecular Properties

Compound Namebis(2-fluorophenol);zirconium(2+);dichloride
PubChem CID174353098
Molecular FormulaC12H10Cl2F2O2Zr
Molecular Weight386.34 g/mol
Exact Mass383.91
IUPAC Namebis(2-fluorophenol);zirconium(2+);dichloride
SMILESOc1ccccc1F.Oc1ccccc1F.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/2C6H5FO.2ClH.Zr/c2*7-5-3-1-2-4-6(5)8;;;/h2*1-4,8H;2*1H;/q;;;;+2/p-2
InChIKeyREYZEOZOJVCZEG-UHFFFAOYSA-L
XLogP-2.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 5-2.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(2-fluorophenol);zirconium(2+);dichloride?
The IUPAC name of bis(2-fluorophenol);zirconium(2+);dichloride (CID 174353098) is bis(2-fluorophenol);zirconium(2+);dichloride.
What is the SMILES notation for bis(2-fluorophenol);zirconium(2+);dichloride?
The canonical SMILES for bis(2-fluorophenol);zirconium(2+);dichloride is Oc1ccccc1F.Oc1ccccc1F.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of bis(2-fluorophenol);zirconium(2+);dichloride?
The InChIKey is REYZEOZOJVCZEG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H5FO.2ClH.Zr/c2*7-5-3-1-2-4-6(5)8;;;/h2*1-4,8H;2*1H;/q;;;;+2/p-2.
What are the key properties of bis(2-fluorophenol);zirconium(2+);dichloride?
bis(2-fluorophenol);zirconium(2+);dichloride has a molecular weight of 386.34 g/mol, XLogP of -2.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-fluorophenol);zirconium(2+);dichloride is sourced from PubChem (CID 174353098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).