4-bromo-2-fluoro-1-iodobenzene

C6H3BrFI — CID 2724516

IUPAC4-bromo-2-fluoro-1-iodobenzene
SMILESFc1cc(Br)ccc1I
InChIInChI=1S/C6H3BrFI/c7-4-1-2-6(9)5(8)3-4/h1-3H
InChIKeyXRMZKCQCINEBEI-UHFFFAOYSA-N
MW300.90 g/mol
LogP3.19
Rot. Bonds

About 4-bromo-2-fluoro-1-iodobenzene

4-bromo-2-fluoro-1-iodobenzene (PubChem CID 2724516) has the molecular formula C6H3BrFI and a molecular weight of 300.90 g/mol. Its IUPAC name is 4-bromo-2-fluoro-1-iodobenzene.

Molecular Properties

Compound Name4-bromo-2-fluoro-1-iodobenzene
PubChem CID2724516
Molecular FormulaC6H3BrFI
Molecular Weight300.90 g/mol
Exact Mass299.84
IUPAC Name4-bromo-2-fluoro-1-iodobenzene
SMILESFc1cc(Br)ccc1I
InChIInChI=1S/C6H3BrFI/c7-4-1-2-6(9)5(8)3-4/h1-3H
InChIKeyXRMZKCQCINEBEI-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 4-bromo-2-fluoro-1-iodobenzene?
The IUPAC name of 4-bromo-2-fluoro-1-iodobenzene (CID 2724516) is 4-bromo-2-fluoro-1-iodobenzene.
What is the SMILES notation for 4-bromo-2-fluoro-1-iodobenzene?
The canonical SMILES for 4-bromo-2-fluoro-1-iodobenzene is Fc1cc(Br)ccc1I.
What is the InChIKey of 4-bromo-2-fluoro-1-iodobenzene?
The InChIKey is XRMZKCQCINEBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrFI/c7-4-1-2-6(9)5(8)3-4/h1-3H.
What are the key properties of 4-bromo-2-fluoro-1-iodobenzene?
4-bromo-2-fluoro-1-iodobenzene has a molecular weight of 300.90 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-1-iodobenzene is sourced from PubChem (CID 2724516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).