1,2-dibromo-5-fluoro-3-iodobenzene

C6H2Br2FI — CID 118830393

IUPAC1,2-dibromo-5-fluoro-3-iodobenzene
SMILESFc1cc(Br)c(Br)c(I)c1
InChIInChI=1S/C6H2Br2FI/c7-4-1-3(9)2-5(10)6(4)8/h1-2H
InChIKeyFHXCWBSVSGXFDK-UHFFFAOYSA-N
MW379.79 g/mol
LogP3.96
Rot. Bonds

About 1,2-dibromo-5-fluoro-3-iodobenzene

1,2-dibromo-5-fluoro-3-iodobenzene (PubChem CID 118830393) has the molecular formula C6H2Br2FI and a molecular weight of 379.79 g/mol. Its IUPAC name is 1,2-dibromo-5-fluoro-3-iodobenzene.

Molecular Properties

Compound Name1,2-dibromo-5-fluoro-3-iodobenzene
PubChem CID118830393
Molecular FormulaC6H2Br2FI
Molecular Weight379.79 g/mol
Exact Mass377.76
IUPAC Name1,2-dibromo-5-fluoro-3-iodobenzene
SMILESFc1cc(Br)c(Br)c(I)c1
InChIInChI=1S/C6H2Br2FI/c7-4-1-3(9)2-5(10)6(4)8/h1-2H
InChIKeyFHXCWBSVSGXFDK-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.79
LogP ≤ 53.96
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-5-fluoro-3-iodobenzene?
The IUPAC name of 1,2-dibromo-5-fluoro-3-iodobenzene (CID 118830393) is 1,2-dibromo-5-fluoro-3-iodobenzene.
What is the SMILES notation for 1,2-dibromo-5-fluoro-3-iodobenzene?
The canonical SMILES for 1,2-dibromo-5-fluoro-3-iodobenzene is Fc1cc(Br)c(Br)c(I)c1.
What is the InChIKey of 1,2-dibromo-5-fluoro-3-iodobenzene?
The InChIKey is FHXCWBSVSGXFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2FI/c7-4-1-3(9)2-5(10)6(4)8/h1-2H.
What are the key properties of 1,2-dibromo-5-fluoro-3-iodobenzene?
1,2-dibromo-5-fluoro-3-iodobenzene has a molecular weight of 379.79 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-5-fluoro-3-iodobenzene is sourced from PubChem (CID 118830393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).