2-[4-(trifluoromethyl)phenyl]-1,3,4-selenadiazole

C9H5F3N2Se — CID 71482574

IUPAC2-[4-(trifluoromethyl)phenyl]-1,3,4-selenadiazole
SMILESFC(F)(F)c1ccc(-c2nnc[se]2)cc1
InChIInChI=1S/C9H5F3N2Se/c10-9(11,12)7-3-1-6(2-4-7)8-14-13-5-15-8/h1-5H
InChIKeyXOIXKNHEJODBLH-UHFFFAOYSA-N
MW277.11 g/mol
LogP2.22
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]-1,3,4-selenadiazole

2-[4-(trifluoromethyl)phenyl]-1,3,4-selenadiazole (PubChem CID 71482574) has the molecular formula C9H5F3N2Se and a molecular weight of 277.11 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-1,3,4-selenadiazole.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-1,3,4-selenadiazole
PubChem CID71482574
Molecular FormulaC9H5F3N2Se
Molecular Weight277.11 g/mol
Exact Mass277.96
IUPAC Name2-[4-(trifluoromethyl)phenyl]-1,3,4-selenadiazole
SMILESFC(F)(F)c1ccc(-c2nnc[se]2)cc1
InChIInChI=1S/C9H5F3N2Se/c10-9(11,12)7-3-1-6(2-4-7)8-14-13-5-15-8/h1-5H
InChIKeyXOIXKNHEJODBLH-UHFFFAOYSA-N
XLogP2.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-(trifluoromethyl)phenyl]-1,3,4-selenadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(4-Fluorophenyl)-1,3,4-selenadiazole
CID 71482567
2-Methyl-5-[4-(trifluoromethyl)phenyl]tetrazole
CID 59173022
CID 59526734
CID 59526734
2,5-Bis(4-methylphenyl)-1,3,4-selenadiazole
CID 21856249
2-(4-Methylphenyl)-1,3,4-selenadiazole
CID 71482573
2-(4-Phenylphenyl)-1,3,4-selenadiazole
CID 71482715
3-phenyl-4H-1,2,4-diazaphosphole
CID 23413742
2-(4-Methylphenyl)-5-phenyl-1,3,4-selenadiazole
CID 42605305
2-(4-Iodophenyl)-1,3,4-selenadiazole
CID 71482570

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1,3,4-selenadiazole?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1,3,4-selenadiazole (CID 71482574) is 2-[4-(trifluoromethyl)phenyl]-1,3,4-selenadiazole.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-1,3,4-selenadiazole?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-1,3,4-selenadiazole is FC(F)(F)c1ccc(-c2nnc[se]2)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-1,3,4-selenadiazole?
The InChIKey is XOIXKNHEJODBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2Se/c10-9(11,12)7-3-1-6(2-4-7)8-14-13-5-15-8/h1-5H.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-1,3,4-selenadiazole?
2-[4-(trifluoromethyl)phenyl]-1,3,4-selenadiazole has a molecular weight of 277.11 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-1,3,4-selenadiazole is sourced from PubChem (CID 71482574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).