1-bromo-2-[difluoro(iodo)methoxy]benzene

C7H4BrF2IO — CID 15507519

IUPAC1-bromo-2-[difluoro(iodo)methoxy]benzene
SMILESFC(F)(I)Oc1ccccc1Br
InChIInChI=1S/C7H4BrF2IO/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H
InChIKeyRMLUTHPCFMHKKI-UHFFFAOYSA-N
MW348.91 g/mol
LogP3.81
Rot. Bonds2

About 1-bromo-2-[difluoro(iodo)methoxy]benzene

1-bromo-2-[difluoro(iodo)methoxy]benzene (PubChem CID 15507519) has the molecular formula C7H4BrF2IO and a molecular weight of 348.91 g/mol. Its IUPAC name is 1-bromo-2-[difluoro(iodo)methoxy]benzene.

Molecular Properties

Compound Name1-bromo-2-[difluoro(iodo)methoxy]benzene
PubChem CID15507519
Molecular FormulaC7H4BrF2IO
Molecular Weight348.91 g/mol
Exact Mass347.85
IUPAC Name1-bromo-2-[difluoro(iodo)methoxy]benzene
SMILESFC(F)(I)Oc1ccccc1Br
InChIInChI=1S/C7H4BrF2IO/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H
InChIKeyRMLUTHPCFMHKKI-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.91
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-bromo-2-[difluoro(iodo)methoxy]benzene 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-2-[difluoro(iodo)methoxy]benzene?
The IUPAC name of 1-bromo-2-[difluoro(iodo)methoxy]benzene (CID 15507519) is 1-bromo-2-[difluoro(iodo)methoxy]benzene.
What is the SMILES notation for 1-bromo-2-[difluoro(iodo)methoxy]benzene?
The canonical SMILES for 1-bromo-2-[difluoro(iodo)methoxy]benzene is FC(F)(I)Oc1ccccc1Br.
What is the InChIKey of 1-bromo-2-[difluoro(iodo)methoxy]benzene?
The InChIKey is RMLUTHPCFMHKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2IO/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H.
What are the key properties of 1-bromo-2-[difluoro(iodo)methoxy]benzene?
1-bromo-2-[difluoro(iodo)methoxy]benzene has a molecular weight of 348.91 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[difluoro(iodo)methoxy]benzene is sourced from PubChem (CID 15507519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).