1-bromo-3,5-difluoro-2-iodobenzene

C6H2BrF2I — CID 519447

IUPAC1-bromo-3,5-difluoro-2-iodobenzene
SMILESFc1cc(F)c(I)c(Br)c1
InChIInChI=1S/C6H2BrF2I/c7-4-1-3(8)2-5(9)6(4)10/h1-2H
InChIKeyKJJGFGWQNCPZBG-UHFFFAOYSA-N
MW318.89 g/mol
LogP3.33
Rot. Bonds

About 1-bromo-3,5-difluoro-2-iodobenzene

1-bromo-3,5-difluoro-2-iodobenzene (PubChem CID 519447) has the molecular formula C6H2BrF2I and a molecular weight of 318.89 g/mol. Its IUPAC name is 1-bromo-3,5-difluoro-2-iodobenzene.

Molecular Properties

Compound Name1-bromo-3,5-difluoro-2-iodobenzene
PubChem CID519447
Molecular FormulaC6H2BrF2I
Molecular Weight318.89 g/mol
Exact Mass317.84
IUPAC Name1-bromo-3,5-difluoro-2-iodobenzene
SMILESFc1cc(F)c(I)c(Br)c1
InChIInChI=1S/C6H2BrF2I/c7-4-1-3(8)2-5(9)6(4)10/h1-2H
InChIKeyKJJGFGWQNCPZBG-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 53.33
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'}

Analyze 1-bromo-3,5-difluoro-2-iodobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,5-difluoro-2-iodobenzene?
The IUPAC name of 1-bromo-3,5-difluoro-2-iodobenzene (CID 519447) is 1-bromo-3,5-difluoro-2-iodobenzene.
What is the SMILES notation for 1-bromo-3,5-difluoro-2-iodobenzene?
The canonical SMILES for 1-bromo-3,5-difluoro-2-iodobenzene is Fc1cc(F)c(I)c(Br)c1.
What is the InChIKey of 1-bromo-3,5-difluoro-2-iodobenzene?
The InChIKey is KJJGFGWQNCPZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF2I/c7-4-1-3(8)2-5(9)6(4)10/h1-2H.
What are the key properties of 1-bromo-3,5-difluoro-2-iodobenzene?
1-bromo-3,5-difluoro-2-iodobenzene has a molecular weight of 318.89 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,5-difluoro-2-iodobenzene is sourced from PubChem (CID 519447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).