1-fluoro-4-iodobenzene

C6H4FI — CID 9605

IUPAC1-fluoro-4-iodobenzene
SMILESFc1ccc(I)cc1
InChIInChI=1S/C6H4FI/c7-5-1-3-6(8)4-2-5/h1-4H
InChIKeyKGNQDBQYEBMPFZ-UHFFFAOYSA-N
MW222.00 g/mol
LogP2.43
Rot. Bonds

About 1-fluoro-4-iodobenzene

1-fluoro-4-iodobenzene (PubChem CID 9605) has the molecular formula C6H4FI and a molecular weight of 222.00 g/mol. Its IUPAC name is 1-fluoro-4-iodobenzene.

Molecular Properties

Compound Name1-fluoro-4-iodobenzene
PubChem CID9605
Molecular FormulaC6H4FI
Molecular Weight222.00 g/mol
Exact Mass221.93
IUPAC Name1-fluoro-4-iodobenzene
SMILESFc1ccc(I)cc1
InChIInChI=1S/C6H4FI/c7-5-1-3-6(8)4-2-5/h1-4H
InChIKeyKGNQDBQYEBMPFZ-UHFFFAOYSA-N
XLogP2.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.00
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-iodobenzene?
The IUPAC name of 1-fluoro-4-iodobenzene (CID 9605) is 1-fluoro-4-iodobenzene.
What is the SMILES notation for 1-fluoro-4-iodobenzene?
The canonical SMILES for 1-fluoro-4-iodobenzene is Fc1ccc(I)cc1.
What is the InChIKey of 1-fluoro-4-iodobenzene?
The InChIKey is KGNQDBQYEBMPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FI/c7-5-1-3-6(8)4-2-5/h1-4H.
What are the key properties of 1-fluoro-4-iodobenzene?
1-fluoro-4-iodobenzene has a molecular weight of 222.00 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-iodobenzene is sourced from PubChem (CID 9605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).