About (1R,2R)-1,2-dibromo-1,2-dichloroethane
(1R,2R)-1,2-dibromo-1,2-dichloroethane (PubChem CID 98044589) has the molecular formula C2H2Br2Cl2
and a molecular weight of 256.75 g/mol. Its IUPAC name is (1R,2R)-1,2-dibromo-1,2-dichloroethane.
Molecular Properties
| Compound Name | (1R,2R)-1,2-dibromo-1,2-dichloroethane |
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| PubChem CID | 98044589 |
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| Molecular Formula | C2H2Br2Cl2 |
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| Molecular Weight | 256.75 g/mol |
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| Exact Mass | 253.79 |
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| IUPAC Name | (1R,2R)-1,2-dibromo-1,2-dichloroethane |
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| SMILES | Cl[C@H](Br)[C@H](Cl)Br |
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| InChI | InChI=1S/C2H2Br2Cl2/c3-1(5)2(4)6/h1-2H/t1-,2-/m0/s1 |
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| InChIKey | RJMDFMUPJANPGX-LWMBPPNESA-N |
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| XLogP | 2.91 |
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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 | 1 |
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| Heavy Atoms | 6 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 256.75 |
| LogP ≤ 5 | 2.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (1R,2R)-1,2-dibromo-1,2-dichloroethane?
The IUPAC name of (1R,2R)-1,2-dibromo-1,2-dichloroethane (CID 98044589) is (1R,2R)-1,2-dibromo-1,2-dichloroethane.
What is the SMILES notation for (1R,2R)-1,2-dibromo-1,2-dichloroethane?
The canonical SMILES for (1R,2R)-1,2-dibromo-1,2-dichloroethane is Cl[C@H](Br)[C@H](Cl)Br.
What is the InChIKey of (1R,2R)-1,2-dibromo-1,2-dichloroethane?
The InChIKey is RJMDFMUPJANPGX-LWMBPPNESA-N. The full InChI is InChI=1S/C2H2Br2Cl2/c3-1(5)2(4)6/h1-2H/t1-,2-/m0/s1.
What are the key properties of (1R,2R)-1,2-dibromo-1,2-dichloroethane?
(1R,2R)-1,2-dibromo-1,2-dichloroethane has a molecular weight of 256.75 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1,2-dibromo-1,2-dichloroethane is sourced from PubChem (CID 98044589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).