About benzene;fluorozinc(1+);hydrochloride
benzene;fluorozinc(1+);hydrochloride (PubChem CID 87833973) has the molecular formula C6H6ClFZn
and a molecular weight of 197.96 g/mol. Its IUPAC name is benzene;fluorozinc(1+);hydrochloride.
Molecular Properties
| Compound Name | benzene;fluorozinc(1+);hydrochloride |
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| PubChem CID | 87833973 |
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| Molecular Formula | C6H6ClFZn |
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| Molecular Weight | 197.96 g/mol |
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| Exact Mass | 195.94 |
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| IUPAC Name | benzene;fluorozinc(1+);hydrochloride |
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| SMILES | Cl.F[Zn+].[c-]1ccccc1 |
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| InChI | InChI=1S/C6H5.ClH.FH.Zn/c1-2-4-6-5-3-1;;;/h1-5H;2*1H;/q-1;;;+2/p-1 |
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| InChIKey | ZQYJQTQRCAIFNZ-UHFFFAOYSA-M |
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| XLogP | 2.33 |
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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 | |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 197.96 |
| LogP ≤ 5 | 2.33 |
| 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 benzene;fluorozinc(1+);hydrochloride?
The IUPAC name of benzene;fluorozinc(1+);hydrochloride (CID 87833973) is benzene;fluorozinc(1+);hydrochloride.
What is the SMILES notation for benzene;fluorozinc(1+);hydrochloride?
The canonical SMILES for benzene;fluorozinc(1+);hydrochloride is Cl.F[Zn+].[c-]1ccccc1.
What is the InChIKey of benzene;fluorozinc(1+);hydrochloride?
The InChIKey is ZQYJQTQRCAIFNZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5.ClH.FH.Zn/c1-2-4-6-5-3-1;;;/h1-5H;2*1H;/q-1;;;+2/p-1.
What are the key properties of benzene;fluorozinc(1+);hydrochloride?
benzene;fluorozinc(1+);hydrochloride has a molecular weight of 197.96 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 benzene;fluorozinc(1+);hydrochloride is sourced from PubChem (CID 87833973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).