About (2S)-3-bromo-1,1,2-trichloropropane
(2S)-3-bromo-1,1,2-trichloropropane (PubChem CID 638092) has the molecular formula C3H4BrCl3
and a molecular weight of 226.33 g/mol. Its IUPAC name is (2S)-3-bromo-1,1,2-trichloropropane.
Molecular Properties
| Compound Name | (2S)-3-bromo-1,1,2-trichloropropane |
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| PubChem CID | 638092 |
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| Molecular Formula | C3H4BrCl3 |
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| Molecular Weight | 226.33 g/mol |
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| Exact Mass | 223.86 |
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| IUPAC Name | (2S)-3-bromo-1,1,2-trichloropropane |
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| SMILES | ClC(Cl)[C@H](Cl)CBr |
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| InChI | InChI=1S/C3H4BrCl3/c4-1-2(5)3(6)7/h2-3H,1H2/t2-/m1/s1 |
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| InChIKey | QWQIMUMELJEYMY-UWTATZPHSA-N |
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| XLogP | 2.79 |
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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 | 2 |
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| Heavy Atoms | 7 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 226.33 |
| LogP ≤ 5 | 2.79 |
| 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 (2S)-3-bromo-1,1,2-trichloropropane?
The IUPAC name of (2S)-3-bromo-1,1,2-trichloropropane (CID 638092) is (2S)-3-bromo-1,1,2-trichloropropane.
What is the SMILES notation for (2S)-3-bromo-1,1,2-trichloropropane?
The canonical SMILES for (2S)-3-bromo-1,1,2-trichloropropane is ClC(Cl)[C@H](Cl)CBr.
What is the InChIKey of (2S)-3-bromo-1,1,2-trichloropropane?
The InChIKey is QWQIMUMELJEYMY-UWTATZPHSA-N. The full InChI is InChI=1S/C3H4BrCl3/c4-1-2(5)3(6)7/h2-3H,1H2/t2-/m1/s1.
What are the key properties of (2S)-3-bromo-1,1,2-trichloropropane?
(2S)-3-bromo-1,1,2-trichloropropane has a molecular weight of 226.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-bromo-1,1,2-trichloropropane is sourced from PubChem (CID 638092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).