About (2S)-1-bromo-4-chloro-2-methylbutane
(2S)-1-bromo-4-chloro-2-methylbutane (PubChem CID 13194805) has the molecular formula C5H10BrCl
and a molecular weight of 185.49 g/mol. Its IUPAC name is (2S)-1-bromo-4-chloro-2-methylbutane.
Molecular Properties
| Compound Name | (2S)-1-bromo-4-chloro-2-methylbutane |
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| PubChem CID | 13194805 |
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| Molecular Formula | C5H10BrCl |
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| Molecular Weight | 185.49 g/mol |
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| Exact Mass | 183.97 |
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| IUPAC Name | (2S)-1-bromo-4-chloro-2-methylbutane |
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| SMILES | C[C@H](CBr)CCCl |
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| InChI | InChI=1S/C5H10BrCl/c1-5(4-6)2-3-7/h5H,2-4H2,1H3/t5-/m0/s1 |
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| InChIKey | BXTRTCOJGYODKA-YFKPBYRVSA-N |
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| XLogP | 2.65 |
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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 | 3 |
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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 |
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| MW ≤ 500 | 185.49 |
| LogP ≤ 5 | 2.65 |
| 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)-1-bromo-4-chloro-2-methylbutane?
The IUPAC name of (2S)-1-bromo-4-chloro-2-methylbutane (CID 13194805) is (2S)-1-bromo-4-chloro-2-methylbutane.
What is the SMILES notation for (2S)-1-bromo-4-chloro-2-methylbutane?
The canonical SMILES for (2S)-1-bromo-4-chloro-2-methylbutane is C[C@H](CBr)CCCl.
What is the InChIKey of (2S)-1-bromo-4-chloro-2-methylbutane?
The InChIKey is BXTRTCOJGYODKA-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H10BrCl/c1-5(4-6)2-3-7/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-1-bromo-4-chloro-2-methylbutane?
(2S)-1-bromo-4-chloro-2-methylbutane has a molecular weight of 185.49 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-bromo-4-chloro-2-methylbutane is sourced from PubChem (CID 13194805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).