fluorobenzene;zirconium(3+);difluoride

C6H4F3Zr — CID 174053311

IUPACfluorobenzene;zirconium(3+);difluoride
SMILESFc1cc[c-]cc1.[F-].[F-].[Zr+3]
InChIInChI=1S/C6H4F.2FH.Zr/c7-6-4-2-1-3-5-6;;;/h2-5H;2*1H;/q-1;;;+3/p-2
InChIKeyGYZUHGAUUQCFDR-UHFFFAOYSA-L
MW224.32 g/mol
LogP-4.37
Rot. Bonds

About fluorobenzene;zirconium(3+);difluoride

fluorobenzene;zirconium(3+);difluoride (PubChem CID 174053311) has the molecular formula C6H4F3Zr and a molecular weight of 224.32 g/mol. Its IUPAC name is fluorobenzene;zirconium(3+);difluoride.

Molecular Properties

Compound Namefluorobenzene;zirconium(3+);difluoride
PubChem CID174053311
Molecular FormulaC6H4F3Zr
Molecular Weight224.32 g/mol
Exact Mass222.93
IUPAC Namefluorobenzene;zirconium(3+);difluoride
SMILESFc1cc[c-]cc1.[F-].[F-].[Zr+3]
InChIInChI=1S/C6H4F.2FH.Zr/c7-6-4-2-1-3-5-6;;;/h2-5H;2*1H;/q-1;;;+3/p-2
InChIKeyGYZUHGAUUQCFDR-UHFFFAOYSA-L
XLogP-4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 5-4.37
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 fluorobenzene;zirconium(3+);difluoride?
The IUPAC name of fluorobenzene;zirconium(3+);difluoride (CID 174053311) is fluorobenzene;zirconium(3+);difluoride.
What is the SMILES notation for fluorobenzene;zirconium(3+);difluoride?
The canonical SMILES for fluorobenzene;zirconium(3+);difluoride is Fc1cc[c-]cc1.[F-].[F-].[Zr+3].
What is the InChIKey of fluorobenzene;zirconium(3+);difluoride?
The InChIKey is GYZUHGAUUQCFDR-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H4F.2FH.Zr/c7-6-4-2-1-3-5-6;;;/h2-5H;2*1H;/q-1;;;+3/p-2.
What are the key properties of fluorobenzene;zirconium(3+);difluoride?
fluorobenzene;zirconium(3+);difluoride has a molecular weight of 224.32 g/mol, XLogP of -4.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene;zirconium(3+);difluoride is sourced from PubChem (CID 174053311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).