About [1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilane
[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilane (PubChem CID 19694319) has the molecular formula C24H34Br2F2OSi2
and a molecular weight of 592.51 g/mol. Its IUPAC name is [1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilane.
Molecular Properties
| Compound Name | [1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilane |
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| PubChem CID | 19694319 |
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| Molecular Formula | C24H34Br2F2OSi2 |
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| Molecular Weight | 592.51 g/mol |
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| Exact Mass | 590.05 |
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| IUPAC Name | [1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilane |
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| SMILES | CC(C)(Cc1ccc(Br)c(F)c1)[Si](C)(C)O[Si](C)(C)C(C)(C)Cc1ccc(Br)c(F)c1 |
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| InChI | InChI=1S/C24H34Br2F2OSi2/c1-23(2,15-17-9-11-19(25)21(27)13-17)30(5,6)29-31(7,8)24(3,4)16-18-10-12-20(26)22(28)14-18/h9-14H,15-16H2,1-8H3 |
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| InChIKey | LVBHRKKCSNRSHQ-UHFFFAOYSA-N |
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| XLogP | 9.26 |
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| TPSA | 9.23 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 31 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 592.51 |
| LogP ≤ 5 | 9.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilane?
The IUPAC name of [1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilane (CID 19694319) is [1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilane.
What is the SMILES notation for [1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilane?
The canonical SMILES for [1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilane is CC(C)(Cc1ccc(Br)c(F)c1)[Si](C)(C)O[Si](C)(C)C(C)(C)Cc1ccc(Br)c(F)c1.
What is the InChIKey of [1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilane?
The InChIKey is LVBHRKKCSNRSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34Br2F2OSi2/c1-23(2,15-17-9-11-19(25)21(27)13-17)30(5,6)29-31(7,8)24(3,4)16-18-10-12-20(26)22(28)14-18/h9-14H,15-16H2,1-8H3.
What are the key properties of [1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilane?
[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilane has a molecular weight of 592.51 g/mol, XLogP of 9.26, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilane is sourced from PubChem (CID 19694319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).