bis(cyclopenta-1,3-diene);bis(1,2,3,4,5-pentafluorobenzene-6-ide);zirconium(4+)

C22H10F10Zr — CID 15398239

IUPACbis(cyclopenta-1,3-diene);bis(1,2,3,4,5-pentafluorobenzene-6-ide);zirconium(4+)
SMILESFc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.[Zr+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C6F5.2C5H5.Zr/c2*7-2-1-3(8)5(10)6(11)4(2)9;2*1-2-4-5-3-1;/h;;2*1-5H;/q4*-1;+4
InChIKeyJKWKNSJSDAWYPE-UHFFFAOYSA-N
MW555.53 g/mol
LogP7.17
Rot. Bonds

About bis(cyclopenta-1,3-diene);bis(1,2,3,4,5-pentafluorobenzene-6-ide);zirconium(4+)

bis(cyclopenta-1,3-diene);bis(1,2,3,4,5-pentafluorobenzene-6-ide);zirconium(4+) (PubChem CID 15398239) has the molecular formula C22H10F10Zr and a molecular weight of 555.53 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);bis(1,2,3,4,5-pentafluorobenzene-6-ide);zirconium(4+).

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);bis(1,2,3,4,5-pentafluorobenzene-6-ide);zirconium(4+)
PubChem CID15398239
Molecular FormulaC22H10F10Zr
Molecular Weight555.53 g/mol
Exact Mass553.97
IUPAC Namebis(cyclopenta-1,3-diene);bis(1,2,3,4,5-pentafluorobenzene-6-ide);zirconium(4+)
SMILESFc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.[Zr+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C6F5.2C5H5.Zr/c2*7-2-1-3(8)5(10)6(11)4(2)9;2*1-2-4-5-3-1;/h;;2*1-5H;/q4*-1;+4
InChIKeyJKWKNSJSDAWYPE-UHFFFAOYSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.53
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);bis(1,2,3,4,5-pentafluorobenzene-6-ide);zirconium(4+)?
The IUPAC name of bis(cyclopenta-1,3-diene);bis(1,2,3,4,5-pentafluorobenzene-6-ide);zirconium(4+) (CID 15398239) is bis(cyclopenta-1,3-diene);bis(1,2,3,4,5-pentafluorobenzene-6-ide);zirconium(4+).
What is the SMILES notation for bis(cyclopenta-1,3-diene);bis(1,2,3,4,5-pentafluorobenzene-6-ide);zirconium(4+)?
The canonical SMILES for bis(cyclopenta-1,3-diene);bis(1,2,3,4,5-pentafluorobenzene-6-ide);zirconium(4+) is Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.[Zr+4].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of bis(cyclopenta-1,3-diene);bis(1,2,3,4,5-pentafluorobenzene-6-ide);zirconium(4+)?
The InChIKey is JKWKNSJSDAWYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6F5.2C5H5.Zr/c2*7-2-1-3(8)5(10)6(11)4(2)9;2*1-2-4-5-3-1;/h;;2*1-5H;/q4*-1;+4.
What are the key properties of bis(cyclopenta-1,3-diene);bis(1,2,3,4,5-pentafluorobenzene-6-ide);zirconium(4+)?
bis(cyclopenta-1,3-diene);bis(1,2,3,4,5-pentafluorobenzene-6-ide);zirconium(4+) has a molecular weight of 555.53 g/mol, XLogP of 7.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);bis(1,2,3,4,5-pentafluorobenzene-6-ide);zirconium(4+) is sourced from PubChem (CID 15398239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).