1-bromo-5-chloro-4-fluoro-2-iodobenzene

C6H2BrClFI — CID 50998080

IUPAC1-bromo-5-chloro-4-fluoro-2-iodobenzene
SMILESFc1cc(I)c(Br)cc1Cl
InChIInChI=1S/C6H2BrClFI/c7-3-1-4(8)5(9)2-6(3)10/h1-2H
InChIKeyCEXHYWMZQCRMPC-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.85
Rot. Bonds

About 1-bromo-5-chloro-4-fluoro-2-iodobenzene

1-bromo-5-chloro-4-fluoro-2-iodobenzene (PubChem CID 50998080) has the molecular formula C6H2BrClFI and a molecular weight of 335.34 g/mol. Its IUPAC name is 1-bromo-5-chloro-4-fluoro-2-iodobenzene.

Molecular Properties

Compound Name1-bromo-5-chloro-4-fluoro-2-iodobenzene
PubChem CID50998080
Molecular FormulaC6H2BrClFI
Molecular Weight335.34 g/mol
Exact Mass333.81
IUPAC Name1-bromo-5-chloro-4-fluoro-2-iodobenzene
SMILESFc1cc(I)c(Br)cc1Cl
InChIInChI=1S/C6H2BrClFI/c7-3-1-4(8)5(9)2-6(3)10/h1-2H
InChIKeyCEXHYWMZQCRMPC-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.85
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 1-bromo-5-chloro-4-fluoro-2-iodobenzene?
The IUPAC name of 1-bromo-5-chloro-4-fluoro-2-iodobenzene (CID 50998080) is 1-bromo-5-chloro-4-fluoro-2-iodobenzene.
What is the SMILES notation for 1-bromo-5-chloro-4-fluoro-2-iodobenzene?
The canonical SMILES for 1-bromo-5-chloro-4-fluoro-2-iodobenzene is Fc1cc(I)c(Br)cc1Cl.
What is the InChIKey of 1-bromo-5-chloro-4-fluoro-2-iodobenzene?
The InChIKey is CEXHYWMZQCRMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClFI/c7-3-1-4(8)5(9)2-6(3)10/h1-2H.
What are the key properties of 1-bromo-5-chloro-4-fluoro-2-iodobenzene?
1-bromo-5-chloro-4-fluoro-2-iodobenzene has a molecular weight of 335.34 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-chloro-4-fluoro-2-iodobenzene is sourced from PubChem (CID 50998080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).