About tetrakis(1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-fluorobenzene);bis(dimethylsilylidenehafnium(2+));dihydrochloride
tetrakis(1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-fluorobenzene);bis(dimethylsilylidenehafnium(2+));dihydrochloride (PubChem CID 173283517) has the molecular formula C56H62Cl2F4Hf2Si2
and a molecular weight of 1295.16 g/mol. Its IUPAC name is tetrakis(1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-fluorobenzene);bis(dimethylsilylidenehafnium(2+));dihydrochloride.
Molecular Properties
| Compound Name | tetrakis(1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-fluorobenzene);bis(dimethylsilylidenehafnium(2+));dihydrochloride |
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| PubChem CID | 173283517 |
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| Molecular Formula | C56H62Cl2F4Hf2Si2 |
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| Molecular Weight | 1295.16 g/mol |
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| Exact Mass | 1296.26 |
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| IUPAC Name | tetrakis(1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-fluorobenzene);bis(dimethylsilylidenehafnium(2+));dihydrochloride |
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| SMILES | CC1=[C-]C(C)C=C1c1ccccc1F.CC1=[C-]C(C)C=C1c1ccccc1F.CC1=[C-]C(C)C=C1c1ccccc1F.CC1=[C-]C(C)C=C1c1ccccc1F.C[Si](C)=[Hf+2].C[Si](C)=[Hf+2].Cl.Cl |
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| InChI | InChI=1S/4C13H12F.2C2H6Si.2ClH.2Hf/c4*1-9-7-10(2)12(8-9)11-5-3-4-6-13(11)14;2*1-3-2;;;;/h4*3-6,8-9H,1-2H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2 |
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| InChIKey | WUJXTGFOTBGTMH-UHFFFAOYSA-N |
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| XLogP | 16.85 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 66 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1295.16 |
| LogP ≤ 5 | 16.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of tetrakis(1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-fluorobenzene);bis(dimethylsilylidenehafnium(2+));dihydrochloride?
The IUPAC name of tetrakis(1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-fluorobenzene);bis(dimethylsilylidenehafnium(2+));dihydrochloride (CID 173283517) is tetrakis(1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-fluorobenzene);bis(dimethylsilylidenehafnium(2+));dihydrochloride.
What is the SMILES notation for tetrakis(1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-fluorobenzene);bis(dimethylsilylidenehafnium(2+));dihydrochloride?
The canonical SMILES for tetrakis(1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-fluorobenzene);bis(dimethylsilylidenehafnium(2+));dihydrochloride is CC1=[C-]C(C)C=C1c1ccccc1F.CC1=[C-]C(C)C=C1c1ccccc1F.CC1=[C-]C(C)C=C1c1ccccc1F.CC1=[C-]C(C)C=C1c1ccccc1F.C[Si](C)=[Hf+2].C[Si](C)=[Hf+2].Cl.Cl.
What is the InChIKey of tetrakis(1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-fluorobenzene);bis(dimethylsilylidenehafnium(2+));dihydrochloride?
The InChIKey is WUJXTGFOTBGTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H12F.2C2H6Si.2ClH.2Hf/c4*1-9-7-10(2)12(8-9)11-5-3-4-6-13(11)14;2*1-3-2;;;;/h4*3-6,8-9H,1-2H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2.
What are the key properties of tetrakis(1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-fluorobenzene);bis(dimethylsilylidenehafnium(2+));dihydrochloride?
tetrakis(1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-fluorobenzene);bis(dimethylsilylidenehafnium(2+));dihydrochloride has a molecular weight of 1295.16 g/mol, XLogP of 16.85, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-fluorobenzene);bis(dimethylsilylidenehafnium(2+));dihydrochloride is sourced from PubChem (CID 173283517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).