About 1-bromo-2,4-difluoro-5-iodobenzene
1-bromo-2,4-difluoro-5-iodobenzene (PubChem CID 44717752) has the molecular formula C6H2BrF2I
and a molecular weight of 318.89 g/mol. Its IUPAC name is 1-bromo-2,4-difluoro-5-iodobenzene.
Molecular Properties
| Compound Name | 1-bromo-2,4-difluoro-5-iodobenzene |
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| PubChem CID | 44717752 |
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| Molecular Formula | C6H2BrF2I |
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| Molecular Weight | 318.89 g/mol |
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| Exact Mass | 317.84 |
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| IUPAC Name | 1-bromo-2,4-difluoro-5-iodobenzene |
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| SMILES | Fc1cc(F)c(I)cc1Br |
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| InChI | InChI=1S/C6H2BrF2I/c7-3-1-6(10)5(9)2-4(3)8/h1-2H |
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| InChIKey | OKFGWPYCEDYPAF-UHFFFAOYSA-N |
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| XLogP | 3.33 |
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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 | 10 |
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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 | 318.89 |
| LogP ≤ 5 | 3.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-bromo-2,4-difluoro-5-iodobenzene?
The IUPAC name of 1-bromo-2,4-difluoro-5-iodobenzene (CID 44717752) is 1-bromo-2,4-difluoro-5-iodobenzene.
What is the SMILES notation for 1-bromo-2,4-difluoro-5-iodobenzene?
The canonical SMILES for 1-bromo-2,4-difluoro-5-iodobenzene is Fc1cc(F)c(I)cc1Br.
What is the InChIKey of 1-bromo-2,4-difluoro-5-iodobenzene?
The InChIKey is OKFGWPYCEDYPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF2I/c7-3-1-6(10)5(9)2-4(3)8/h1-2H.
What are the key properties of 1-bromo-2,4-difluoro-5-iodobenzene?
1-bromo-2,4-difluoro-5-iodobenzene has a molecular weight of 318.89 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,4-difluoro-5-iodobenzene is sourced from PubChem (CID 44717752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).