1,5-dibromo-2,4-dichloro-3-fluorobenzene

C6HBr2Cl2F — CID 10969348

IUPAC1,5-dibromo-2,4-dichloro-3-fluorobenzene
SMILESFc1c(Cl)c(Br)cc(Br)c1Cl
InChIInChI=1S/C6HBr2Cl2F/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKeyABEJMXZVDXFLCD-UHFFFAOYSA-N
MW322.79 g/mol
LogP4.66
Rot. Bonds

About 1,5-dibromo-2,4-dichloro-3-fluorobenzene

1,5-dibromo-2,4-dichloro-3-fluorobenzene (PubChem CID 10969348) has the molecular formula C6HBr2Cl2F and a molecular weight of 322.79 g/mol. Its IUPAC name is 1,5-dibromo-2,4-dichloro-3-fluorobenzene.

Molecular Properties

Compound Name1,5-dibromo-2,4-dichloro-3-fluorobenzene
PubChem CID10969348
Molecular FormulaC6HBr2Cl2F
Molecular Weight322.79 g/mol
Exact Mass319.78
IUPAC Name1,5-dibromo-2,4-dichloro-3-fluorobenzene
SMILESFc1c(Cl)c(Br)cc(Br)c1Cl
InChIInChI=1S/C6HBr2Cl2F/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKeyABEJMXZVDXFLCD-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,5-dibromo-2,4-dichloro-3-fluorobenzene?
The IUPAC name of 1,5-dibromo-2,4-dichloro-3-fluorobenzene (CID 10969348) is 1,5-dibromo-2,4-dichloro-3-fluorobenzene.
What is the SMILES notation for 1,5-dibromo-2,4-dichloro-3-fluorobenzene?
The canonical SMILES for 1,5-dibromo-2,4-dichloro-3-fluorobenzene is Fc1c(Cl)c(Br)cc(Br)c1Cl.
What is the InChIKey of 1,5-dibromo-2,4-dichloro-3-fluorobenzene?
The InChIKey is ABEJMXZVDXFLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr2Cl2F/c7-2-1-3(8)5(10)6(11)4(2)9/h1H.
What are the key properties of 1,5-dibromo-2,4-dichloro-3-fluorobenzene?
1,5-dibromo-2,4-dichloro-3-fluorobenzene has a molecular weight of 322.79 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-2,4-dichloro-3-fluorobenzene is sourced from PubChem (CID 10969348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).