2-fluoro-4,6-diiodobenzonitrile

C7H2FI2N — CID 118997099

IUPAC2-fluoro-4,6-diiodobenzonitrile
SMILESN#Cc1c(F)cc(I)cc1I
InChIInChI=1S/C7H2FI2N/c8-6-1-4(9)2-7(10)5(6)3-11/h1-2H
InChIKeyCFPYYAMIUMTFMI-UHFFFAOYSA-N
MW372.91 g/mol
LogP2.91
Rot. Bonds

About 2-fluoro-4,6-diiodobenzonitrile

2-fluoro-4,6-diiodobenzonitrile (PubChem CID 118997099) has the molecular formula C7H2FI2N and a molecular weight of 372.91 g/mol. Its IUPAC name is 2-fluoro-4,6-diiodobenzonitrile.

Molecular Properties

Compound Name2-fluoro-4,6-diiodobenzonitrile
PubChem CID118997099
Molecular FormulaC7H2FI2N
Molecular Weight372.91 g/mol
Exact Mass372.83
IUPAC Name2-fluoro-4,6-diiodobenzonitrile
SMILESN#Cc1c(F)cc(I)cc1I
InChIInChI=1S/C7H2FI2N/c8-6-1-4(9)2-7(10)5(6)3-11/h1-2H
InChIKeyCFPYYAMIUMTFMI-UHFFFAOYSA-N
XLogP2.91
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.91
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,6-diiodobenzonitrile?
The IUPAC name of 2-fluoro-4,6-diiodobenzonitrile (CID 118997099) is 2-fluoro-4,6-diiodobenzonitrile.
What is the SMILES notation for 2-fluoro-4,6-diiodobenzonitrile?
The canonical SMILES for 2-fluoro-4,6-diiodobenzonitrile is N#Cc1c(F)cc(I)cc1I.
What is the InChIKey of 2-fluoro-4,6-diiodobenzonitrile?
The InChIKey is CFPYYAMIUMTFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2FI2N/c8-6-1-4(9)2-7(10)5(6)3-11/h1-2H.
What are the key properties of 2-fluoro-4,6-diiodobenzonitrile?
2-fluoro-4,6-diiodobenzonitrile has a molecular weight of 372.91 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,6-diiodobenzonitrile is sourced from PubChem (CID 118997099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).