bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride

C22H20Br2Cl2F2SiZr-2 — CID 160524895

IUPACbis(4-bromo-6-fluoro-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
SMILESC[Si](C)=[Zr+2].Cc1cc2c(Br)cc(F)cc2[cH-]1.Cc1cc2c(Br)cc(F)cc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/2C10H7BrF.C2H6Si.2ClH.Zr/c2*1-6-2-7-4-8(12)5-10(11)9(7)3-6;1-3-2;;;/h2*2-5H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyXYDAWDIIHHGXKG-UHFFFAOYSA-L
MW672.42 g/mol
LogP2.33
Rot. Bonds

About bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride

bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride (PubChem CID 160524895) has the molecular formula C22H20Br2Cl2F2SiZr-2 and a molecular weight of 672.42 g/mol. Its IUPAC name is bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride.

Molecular Properties

Compound Namebis(4-bromo-6-fluoro-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
PubChem CID160524895
Molecular FormulaC22H20Br2Cl2F2SiZr-2
Molecular Weight672.42 g/mol
Exact Mass667.81
IUPAC Namebis(4-bromo-6-fluoro-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
SMILESC[Si](C)=[Zr+2].Cc1cc2c(Br)cc(F)cc2[cH-]1.Cc1cc2c(Br)cc(F)cc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/2C10H7BrF.C2H6Si.2ClH.Zr/c2*1-6-2-7-4-8(12)5-10(11)9(7)3-6;1-3-2;;;/h2*2-5H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyXYDAWDIIHHGXKG-UHFFFAOYSA-L
XLogP2.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500672.42
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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bis(7-bromo-5H-indeno[1,2-c]pyridin-5-ide);dimethylsilylidenezirconium(2+);dichloride
CID 159306845
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CID 18538203
4-bromo-2-methyl-1H-inden-1-ide;cyclopenta-1,3-diene;propan-2-ol;silylidenemethanol;zirconium(2+)
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Frequently Asked Questions

What is the IUPAC name of bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride?
The IUPAC name of bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride (CID 160524895) is bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride.
What is the SMILES notation for bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride?
The canonical SMILES for bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride is C[Si](C)=[Zr+2].Cc1cc2c(Br)cc(F)cc2[cH-]1.Cc1cc2c(Br)cc(F)cc2[cH-]1.[Cl-].[Cl-].
What is the InChIKey of bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride?
The InChIKey is XYDAWDIIHHGXKG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H7BrF.C2H6Si.2ClH.Zr/c2*1-6-2-7-4-8(12)5-10(11)9(7)3-6;1-3-2;;;/h2*2-5H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride?
bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride has a molecular weight of 672.42 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride is sourced from PubChem (CID 160524895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).