About 3-bromo-1,2-dichloro-4,5-difluorobenzene
3-bromo-1,2-dichloro-4,5-difluorobenzene (PubChem CID 51000174) has the molecular formula C6HBrCl2F2
and a molecular weight of 261.88 g/mol. Its IUPAC name is 3-bromo-1,2-dichloro-4,5-difluorobenzene.
Molecular Properties
| Compound Name | 3-bromo-1,2-dichloro-4,5-difluorobenzene |
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| PubChem CID | 51000174 |
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| Molecular Formula | C6HBrCl2F2 |
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| Molecular Weight | 261.88 g/mol |
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| Exact Mass | 259.86 |
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| IUPAC Name | 3-bromo-1,2-dichloro-4,5-difluorobenzene |
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| SMILES | Fc1cc(Cl)c(Cl)c(Br)c1F |
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| InChI | InChI=1S/C6HBrCl2F2/c7-4-5(9)2(8)1-3(10)6(4)11/h1H |
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| InChIKey | OLXRISHXRVYAQN-UHFFFAOYSA-N |
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| XLogP | 4.03 |
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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 | 11 |
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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 | 261.88 |
| LogP ≤ 5 | 4.03 |
| 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': 'halogenated_ring_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 3-bromo-1,2-dichloro-4,5-difluorobenzene?
The IUPAC name of 3-bromo-1,2-dichloro-4,5-difluorobenzene (CID 51000174) is 3-bromo-1,2-dichloro-4,5-difluorobenzene.
What is the SMILES notation for 3-bromo-1,2-dichloro-4,5-difluorobenzene?
The canonical SMILES for 3-bromo-1,2-dichloro-4,5-difluorobenzene is Fc1cc(Cl)c(Cl)c(Br)c1F.
What is the InChIKey of 3-bromo-1,2-dichloro-4,5-difluorobenzene?
The InChIKey is OLXRISHXRVYAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBrCl2F2/c7-4-5(9)2(8)1-3(10)6(4)11/h1H.
What are the key properties of 3-bromo-1,2-dichloro-4,5-difluorobenzene?
3-bromo-1,2-dichloro-4,5-difluorobenzene has a molecular weight of 261.88 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,2-dichloro-4,5-difluorobenzene is sourced from PubChem (CID 51000174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).