3,4-difluoro-2-(4-iodophenyl)-1H-pyrrole

C10H6F2IN — CID 174711923

IUPAC3,4-difluoro-2-(4-iodophenyl)-1H-pyrrole
SMILESFc1c[nH]c(-c2ccc(I)cc2)c1F
InChIInChI=1S/C10H6F2IN/c11-8-5-14-10(9(8)12)6-1-3-7(13)4-2-6/h1-5,14H
InChIKeyLZLBOCVXEGVZIS-UHFFFAOYSA-N
MW305.06 g/mol
LogP3.56
Rot. Bonds1

About 3,4-difluoro-2-(4-iodophenyl)-1H-pyrrole

3,4-difluoro-2-(4-iodophenyl)-1H-pyrrole (PubChem CID 174711923) has the molecular formula C10H6F2IN and a molecular weight of 305.06 g/mol. Its IUPAC name is 3,4-difluoro-2-(4-iodophenyl)-1H-pyrrole.

Molecular Properties

Compound Name3,4-difluoro-2-(4-iodophenyl)-1H-pyrrole
PubChem CID174711923
Molecular FormulaC10H6F2IN
Molecular Weight305.06 g/mol
Exact Mass304.95
IUPAC Name3,4-difluoro-2-(4-iodophenyl)-1H-pyrrole
SMILESFc1c[nH]c(-c2ccc(I)cc2)c1F
InChIInChI=1S/C10H6F2IN/c11-8-5-14-10(9(8)12)6-1-3-7(13)4-2-6/h1-5,14H
InChIKeyLZLBOCVXEGVZIS-UHFFFAOYSA-N
XLogP3.56
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.06
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,4-difluoro-2-(4-iodophenyl)-1H-pyrrole 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 3,4-difluoro-2-(4-iodophenyl)-1H-pyrrole?
The IUPAC name of 3,4-difluoro-2-(4-iodophenyl)-1H-pyrrole (CID 174711923) is 3,4-difluoro-2-(4-iodophenyl)-1H-pyrrole.
What is the SMILES notation for 3,4-difluoro-2-(4-iodophenyl)-1H-pyrrole?
The canonical SMILES for 3,4-difluoro-2-(4-iodophenyl)-1H-pyrrole is Fc1c[nH]c(-c2ccc(I)cc2)c1F.
What is the InChIKey of 3,4-difluoro-2-(4-iodophenyl)-1H-pyrrole?
The InChIKey is LZLBOCVXEGVZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2IN/c11-8-5-14-10(9(8)12)6-1-3-7(13)4-2-6/h1-5,14H.
What are the key properties of 3,4-difluoro-2-(4-iodophenyl)-1H-pyrrole?
3,4-difluoro-2-(4-iodophenyl)-1H-pyrrole has a molecular weight of 305.06 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-(4-iodophenyl)-1H-pyrrole is sourced from PubChem (CID 174711923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).