About cis-(1R,2S)-1,2-dibromocyclohexane
cis-(1R,2S)-1,2-dibromocyclohexane (PubChem CID 6432209) has the molecular formula C6H10Br2
and a molecular weight of 241.95 g/mol. Its IUPAC name is cis-(1R,2S)-1,2-dibromocyclohexane.
Molecular Properties
| Compound Name | cis-(1R,2S)-1,2-dibromocyclohexane |
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| PubChem CID | 6432209 |
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| Molecular Formula | C6H10Br2 |
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| Molecular Weight | 241.95 g/mol |
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| Exact Mass | 239.91 |
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| IUPAC Name | cis-(1R,2S)-1,2-dibromocyclohexane |
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| SMILES | Br[C@@H]1CCCC[C@@H]1Br |
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| InChI | InChI=1S/C6H10Br2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2/t5-,6+ |
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| InChIKey | CZNHKZKWKJNOTE-OLQVQODUSA-N |
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| XLogP | 3.09 |
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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 | 8 |
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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 | 241.95 |
| LogP ≤ 5 | 3.09 |
| 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 cis-(1R,2S)-1,2-dibromocyclohexane?
The IUPAC name of cis-(1R,2S)-1,2-dibromocyclohexane (CID 6432209) is cis-(1R,2S)-1,2-dibromocyclohexane.
What is the SMILES notation for cis-(1R,2S)-1,2-dibromocyclohexane?
The canonical SMILES for cis-(1R,2S)-1,2-dibromocyclohexane is Br[C@@H]1CCCC[C@@H]1Br.
What is the InChIKey of cis-(1R,2S)-1,2-dibromocyclohexane?
The InChIKey is CZNHKZKWKJNOTE-OLQVQODUSA-N. The full InChI is InChI=1S/C6H10Br2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2/t5-,6+.
What are the key properties of cis-(1R,2S)-1,2-dibromocyclohexane?
cis-(1R,2S)-1,2-dibromocyclohexane has a molecular weight of 241.95 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1,2-dibromocyclohexane is sourced from PubChem (CID 6432209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).