2-chloro-1-fluoro-4-iodobenzene

C6H3ClFI — CID 2724605

IUPAC2-chloro-1-fluoro-4-iodobenzene
SMILESFc1ccc(I)cc1Cl
InChIInChI=1S/C6H3ClFI/c7-5-3-4(9)1-2-6(5)8/h1-3H
InChIKeyOMASDGWBVAVFQZ-UHFFFAOYSA-N
MW256.44 g/mol
LogP3.08
Rot. Bonds

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

2-chloro-1-fluoro-4-iodobenzene (PubChem CID 2724605) has the molecular formula C6H3ClFI and a molecular weight of 256.44 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-iodobenzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-iodobenzene
PubChem CID2724605
Molecular FormulaC6H3ClFI
Molecular Weight256.44 g/mol
Exact Mass255.90
IUPAC Name2-chloro-1-fluoro-4-iodobenzene
SMILESFc1ccc(I)cc1Cl
InChIInChI=1S/C6H3ClFI/c7-5-3-4(9)1-2-6(5)8/h1-3H
InChIKeyOMASDGWBVAVFQZ-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 53.08
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 2-chloro-1-fluoro-4-iodobenzene?
The IUPAC name of 2-chloro-1-fluoro-4-iodobenzene (CID 2724605) is 2-chloro-1-fluoro-4-iodobenzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-iodobenzene?
The canonical SMILES for 2-chloro-1-fluoro-4-iodobenzene is Fc1ccc(I)cc1Cl.
What is the InChIKey of 2-chloro-1-fluoro-4-iodobenzene?
The InChIKey is OMASDGWBVAVFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClFI/c7-5-3-4(9)1-2-6(5)8/h1-3H.
What are the key properties of 2-chloro-1-fluoro-4-iodobenzene?
2-chloro-1-fluoro-4-iodobenzene has a molecular weight of 256.44 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-iodobenzene is sourced from PubChem (CID 2724605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).