cyclopenta-1,3-diene;2-methyl-1H-inden-1-ide;zirconium(4+);difluoride

C15H14F2Zr — CID 87786094

IUPACcyclopenta-1,3-diene;2-methyl-1H-inden-1-ide;zirconium(4+);difluoride
SMILESCc1cc2ccccc2[cH-]1.[C-]1=CC=CC1.[F-].[F-].[Zr+4]
InChIInChI=1S/C10H9.C5H5.2FH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-2-4-5-3-1;;;/h2-7H,1H3;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyQQPMKTLKULBJFZ-UHFFFAOYSA-L
MW323.50 g/mol
LogP-1.82
Rot. Bonds

About cyclopenta-1,3-diene;2-methyl-1H-inden-1-ide;zirconium(4+);difluoride

cyclopenta-1,3-diene;2-methyl-1H-inden-1-ide;zirconium(4+);difluoride (PubChem CID 87786094) has the molecular formula C15H14F2Zr and a molecular weight of 323.50 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-methyl-1H-inden-1-ide;zirconium(4+);difluoride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-methyl-1H-inden-1-ide;zirconium(4+);difluoride
PubChem CID87786094
Molecular FormulaC15H14F2Zr
Molecular Weight323.50 g/mol
Exact Mass322.01
IUPAC Namecyclopenta-1,3-diene;2-methyl-1H-inden-1-ide;zirconium(4+);difluoride
SMILESCc1cc2ccccc2[cH-]1.[C-]1=CC=CC1.[F-].[F-].[Zr+4]
InChIInChI=1S/C10H9.C5H5.2FH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-2-4-5-3-1;;;/h2-7H,1H3;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyQQPMKTLKULBJFZ-UHFFFAOYSA-L
XLogP-1.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.50
LogP ≤ 5-1.82
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 cyclopenta-1,3-diene;2-methyl-1H-inden-1-ide;zirconium(4+);difluoride?
The IUPAC name of cyclopenta-1,3-diene;2-methyl-1H-inden-1-ide;zirconium(4+);difluoride (CID 87786094) is cyclopenta-1,3-diene;2-methyl-1H-inden-1-ide;zirconium(4+);difluoride.
What is the SMILES notation for cyclopenta-1,3-diene;2-methyl-1H-inden-1-ide;zirconium(4+);difluoride?
The canonical SMILES for cyclopenta-1,3-diene;2-methyl-1H-inden-1-ide;zirconium(4+);difluoride is Cc1cc2ccccc2[cH-]1.[C-]1=CC=CC1.[F-].[F-].[Zr+4].
What is the InChIKey of cyclopenta-1,3-diene;2-methyl-1H-inden-1-ide;zirconium(4+);difluoride?
The InChIKey is QQPMKTLKULBJFZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9.C5H5.2FH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-2-4-5-3-1;;;/h2-7H,1H3;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of cyclopenta-1,3-diene;2-methyl-1H-inden-1-ide;zirconium(4+);difluoride?
cyclopenta-1,3-diene;2-methyl-1H-inden-1-ide;zirconium(4+);difluoride has a molecular weight of 323.50 g/mol, XLogP of -1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2-methyl-1H-inden-1-ide;zirconium(4+);difluoride is sourced from PubChem (CID 87786094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).