bis(2,6-difluorophenol);zirconium

C12H8F4O2Zr — CID 161409047

IUPACbis(2,6-difluorophenol);zirconium
SMILESOc1c(F)cccc1F.Oc1c(F)cccc1F.[Zr]
InChIInChI=1S/2C6H4F2O.Zr/c2*7-4-2-1-3-5(8)6(4)9;/h2*1-3,9H;
InChIKeyLLPINYNRQFYJCZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.34
Rot. Bonds

About bis(2,6-difluorophenol);zirconium

bis(2,6-difluorophenol);zirconium (PubChem CID 161409047) has the molecular formula C12H8F4O2Zr and a molecular weight of 351.41 g/mol. Its IUPAC name is bis(2,6-difluorophenol);zirconium.

Molecular Properties

Compound Namebis(2,6-difluorophenol);zirconium
PubChem CID161409047
Molecular FormulaC12H8F4O2Zr
Molecular Weight351.41 g/mol
Exact Mass349.95
IUPAC Namebis(2,6-difluorophenol);zirconium
SMILESOc1c(F)cccc1F.Oc1c(F)cccc1F.[Zr]
InChIInChI=1S/2C6H4F2O.Zr/c2*7-4-2-1-3-5(8)6(4)9;/h2*1-3,9H;
InChIKeyLLPINYNRQFYJCZ-UHFFFAOYSA-N
XLogP3.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(2,6-difluorophenol);zirconium?
The IUPAC name of bis(2,6-difluorophenol);zirconium (CID 161409047) is bis(2,6-difluorophenol);zirconium.
What is the SMILES notation for bis(2,6-difluorophenol);zirconium?
The canonical SMILES for bis(2,6-difluorophenol);zirconium is Oc1c(F)cccc1F.Oc1c(F)cccc1F.[Zr].
What is the InChIKey of bis(2,6-difluorophenol);zirconium?
The InChIKey is LLPINYNRQFYJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H4F2O.Zr/c2*7-4-2-1-3-5(8)6(4)9;/h2*1-3,9H;.
What are the key properties of bis(2,6-difluorophenol);zirconium?
bis(2,6-difluorophenol);zirconium has a molecular weight of 351.41 g/mol, XLogP of 3.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-difluorophenol);zirconium is sourced from PubChem (CID 161409047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).