cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrofluoride

C15H16F2Zr — CID 87203324

IUPACcyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrofluoride
SMILESC[c-]1ccc2ccccc21.F.F.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/C10H9.C5H5.2FH.Zr/c1-8-6-7-9-4-2-3-5-10(8)9;1-2-4-5-3-1;;;/h2-7H,1H3;1-3H,4H2;2*1H;/q2*-1;;;+2
InChIKeyHSZIMMMYFWUVNX-UHFFFAOYSA-N
MW325.51 g/mol
LogP4.48
Rot. Bonds

About cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrofluoride

cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrofluoride (PubChem CID 87203324) has the molecular formula C15H16F2Zr and a molecular weight of 325.51 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrofluoride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrofluoride
PubChem CID87203324
Molecular FormulaC15H16F2Zr
Molecular Weight325.51 g/mol
Exact Mass324.03
IUPAC Namecyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrofluoride
SMILESC[c-]1ccc2ccccc21.F.F.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/C10H9.C5H5.2FH.Zr/c1-8-6-7-9-4-2-3-5-10(8)9;1-2-4-5-3-1;;;/h2-7H,1H3;1-3H,4H2;2*1H;/q2*-1;;;+2
InChIKeyHSZIMMMYFWUVNX-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.51
LogP ≤ 54.48
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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Related Compounds

cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrochloride
CID 87555526
cyclopenta-1,3-diene;1,5-dimethylinden-1-ide;zirconium(2+)
CID 174054858
bis(cyclopenta-1,3-diene);naphthalene;nickel(2+)
CID 174807203
cyclopenta-1,3-diene;1,3-dimethylinden-1-ide;zirconium(2+)
CID 173176184
cyclopenta-1,3-diene;1-methyl-2-phenylinden-1-ide;zirconium(2+);dichloride
CID 22283832
1,1'-biphenyl;bis(cyclopenta-1,3-diene);zirconium(2+)
CID 158996763
CID 173301024
CID 173301024
bis(1,1'-biphenyl);cyclopenta-1,3-diene;iron
CID 173207547
bis(cyclopenta-1,3-diene);zirconium(2+);dihydrobromide
CID 87133398
cyclopenta-1,3-diene;zirconium;trihydrofluoride
CID 173031456
tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride
CID 22239884
butane;cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(2+)
CID 173283220

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrofluoride?
The IUPAC name of cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrofluoride (CID 87203324) is cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrofluoride.
What is the SMILES notation for cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrofluoride?
The canonical SMILES for cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrofluoride is C[c-]1ccc2ccccc21.F.F.[C-]1=CC=CC1.[Zr+2].
What is the InChIKey of cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrofluoride?
The InChIKey is HSZIMMMYFWUVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9.C5H5.2FH.Zr/c1-8-6-7-9-4-2-3-5-10(8)9;1-2-4-5-3-1;;;/h2-7H,1H3;1-3H,4H2;2*1H;/q2*-1;;;+2.
What are the key properties of cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrofluoride?
cyclopenta-1,3-diene;1-methylinden-1-ide;zirconium(2+);dihydrofluoride has a molecular weight of 325.51 g/mol, XLogP of 4.48, 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;1-methylinden-1-ide;zirconium(2+);dihydrofluoride is sourced from PubChem (CID 87203324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).