2-chloro-3-fluoro-1,4-diiodobenzene

C6H2ClFI2 — CID 118802327

IUPAC2-chloro-3-fluoro-1,4-diiodobenzene
SMILESFc1c(I)ccc(I)c1Cl
InChIInChI=1S/C6H2ClFI2/c7-5-3(9)1-2-4(10)6(5)8/h1-2H
InChIKeyLOVRPIVFPZCBNY-UHFFFAOYSA-N
MW382.34 g/mol
LogP3.69
Rot. Bonds

About 2-chloro-3-fluoro-1,4-diiodobenzene

2-chloro-3-fluoro-1,4-diiodobenzene (PubChem CID 118802327) has the molecular formula C6H2ClFI2 and a molecular weight of 382.34 g/mol. Its IUPAC name is 2-chloro-3-fluoro-1,4-diiodobenzene.

Molecular Properties

Compound Name2-chloro-3-fluoro-1,4-diiodobenzene
PubChem CID118802327
Molecular FormulaC6H2ClFI2
Molecular Weight382.34 g/mol
Exact Mass381.79
IUPAC Name2-chloro-3-fluoro-1,4-diiodobenzene
SMILESFc1c(I)ccc(I)c1Cl
InChIInChI=1S/C6H2ClFI2/c7-5-3(9)1-2-4(10)6(5)8/h1-2H
InChIKeyLOVRPIVFPZCBNY-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.69
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 2-chloro-3-fluoro-1,4-diiodobenzene 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 2-chloro-3-fluoro-1,4-diiodobenzene?
The IUPAC name of 2-chloro-3-fluoro-1,4-diiodobenzene (CID 118802327) is 2-chloro-3-fluoro-1,4-diiodobenzene.
What is the SMILES notation for 2-chloro-3-fluoro-1,4-diiodobenzene?
The canonical SMILES for 2-chloro-3-fluoro-1,4-diiodobenzene is Fc1c(I)ccc(I)c1Cl.
What is the InChIKey of 2-chloro-3-fluoro-1,4-diiodobenzene?
The InChIKey is LOVRPIVFPZCBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClFI2/c7-5-3(9)1-2-4(10)6(5)8/h1-2H.
What are the key properties of 2-chloro-3-fluoro-1,4-diiodobenzene?
2-chloro-3-fluoro-1,4-diiodobenzene has a molecular weight of 382.34 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-1,4-diiodobenzene is sourced from PubChem (CID 118802327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).