2,6-difluoro-4-iodobenzonitrile

C7H2F2IN — CID 19023068

IUPAC2,6-difluoro-4-iodobenzonitrile
SMILESN#Cc1c(F)cc(I)cc1F
InChIInChI=1S/C7H2F2IN/c8-6-1-4(10)2-7(9)5(6)3-11/h1-2H
InChIKeyWDYZUODPVUYOOJ-UHFFFAOYSA-N
MW265.00 g/mol
LogP2.44
Rot. Bonds

About 2,6-difluoro-4-iodobenzonitrile

2,6-difluoro-4-iodobenzonitrile (PubChem CID 19023068) has the molecular formula C7H2F2IN and a molecular weight of 265.00 g/mol. Its IUPAC name is 2,6-difluoro-4-iodobenzonitrile.

Molecular Properties

Compound Name2,6-difluoro-4-iodobenzonitrile
PubChem CID19023068
Molecular FormulaC7H2F2IN
Molecular Weight265.00 g/mol
Exact Mass264.92
IUPAC Name2,6-difluoro-4-iodobenzonitrile
SMILESN#Cc1c(F)cc(I)cc1F
InChIInChI=1S/C7H2F2IN/c8-6-1-4(10)2-7(9)5(6)3-11/h1-2H
InChIKeyWDYZUODPVUYOOJ-UHFFFAOYSA-N
XLogP2.44
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.00
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-difluoro-4-iodobenzonitrile 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 2,6-difluoro-4-iodobenzonitrile?
The IUPAC name of 2,6-difluoro-4-iodobenzonitrile (CID 19023068) is 2,6-difluoro-4-iodobenzonitrile.
What is the SMILES notation for 2,6-difluoro-4-iodobenzonitrile?
The canonical SMILES for 2,6-difluoro-4-iodobenzonitrile is N#Cc1c(F)cc(I)cc1F.
What is the InChIKey of 2,6-difluoro-4-iodobenzonitrile?
The InChIKey is WDYZUODPVUYOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F2IN/c8-6-1-4(10)2-7(9)5(6)3-11/h1-2H.
What are the key properties of 2,6-difluoro-4-iodobenzonitrile?
2,6-difluoro-4-iodobenzonitrile has a molecular weight of 265.00 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-iodobenzonitrile is sourced from PubChem (CID 19023068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).