2-(4-fluorophenyl)-1,3,4-selenadiazole

C8H5FN2Se — CID 71482567

IUPAC2-(4-fluorophenyl)-1,3,4-selenadiazole
SMILESFc1ccc(-c2nnc[se]2)cc1
InChIInChI=1S/C8H5FN2Se/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h1-5H
InChIKeyXVHOCCAFXKPUMU-UHFFFAOYSA-N
MW227.10 g/mol
LogP1.34
Rot. Bonds1

About 2-(4-fluorophenyl)-1,3,4-selenadiazole

2-(4-fluorophenyl)-1,3,4-selenadiazole (PubChem CID 71482567) has the molecular formula C8H5FN2Se and a molecular weight of 227.10 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1,3,4-selenadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1,3,4-selenadiazole
PubChem CID71482567
Molecular FormulaC8H5FN2Se
Molecular Weight227.10 g/mol
Exact Mass227.96
IUPAC Name2-(4-fluorophenyl)-1,3,4-selenadiazole
SMILESFc1ccc(-c2nnc[se]2)cc1
InChIInChI=1S/C8H5FN2Se/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h1-5H
InChIKeyXVHOCCAFXKPUMU-UHFFFAOYSA-N
XLogP1.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-Fluorophenyl)-2-methyltetrazole
CID 333941
2-(4-Fluorophenyl)-1,3,4-thiadiazole
CID 21750329
2-(4-Fluorophenyl)-5-(4-methylphenyl)-1,3,4-selenadiazole
CID 42603506
2-(4-Fluorophenyl)-5-phenyl-1,3,4-selenadiazole
CID 42604461
2,5-Diphenyl-1,3,4-selenadiazole
CID 13866377
2-(2-Fluorophenyl)-1,3,4-thiadiazole
CID 67876203
5-(4-fluorophenyl)-2-methyl-2H-tetrazole
CID 72316140
5-(2-Fluorophenyl)-2-methyltetrazole
CID 72316147
2-(3-Fluorophenyl)-1,3,4-thiadiazole
CID 130052469
2-(2,4-Difluorophenyl)-1,3,4-thiadiazole
CID 130052528
2-(2,6-Difluorophenyl)-1,3,4-thiadiazole
CID 130052530
CID 59526713
CID 59526713

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1,3,4-selenadiazole?
The IUPAC name of 2-(4-fluorophenyl)-1,3,4-selenadiazole (CID 71482567) is 2-(4-fluorophenyl)-1,3,4-selenadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-1,3,4-selenadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-1,3,4-selenadiazole is Fc1ccc(-c2nnc[se]2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1,3,4-selenadiazole?
The InChIKey is XVHOCCAFXKPUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2Se/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h1-5H.
What are the key properties of 2-(4-fluorophenyl)-1,3,4-selenadiazole?
2-(4-fluorophenyl)-1,3,4-selenadiazole has a molecular weight of 227.10 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1,3,4-selenadiazole is sourced from PubChem (CID 71482567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).