2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-selenadiazole

C15H11FN2Se — CID 42603506

IUPAC2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-selenadiazole
SMILESCc1ccc(-c2nnc(-c3ccc(F)cc3)[se]2)cc1
InChIInChI=1S/C15H11FN2Se/c1-10-2-4-11(5-3-10)14-17-18-15(19-14)12-6-8-13(16)9-7-12/h2-9H,1H3
InChIKeyUHPLFAFDXVWMDV-UHFFFAOYSA-N
MW317.23 g/mol
LogP3.32
Rot. Bonds2

About 2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-selenadiazole

2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-selenadiazole (PubChem CID 42603506) has the molecular formula C15H11FN2Se and a molecular weight of 317.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-selenadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-selenadiazole
PubChem CID42603506
Molecular FormulaC15H11FN2Se
Molecular Weight317.23 g/mol
Exact Mass318.01
IUPAC Name2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-selenadiazole
SMILESCc1ccc(-c2nnc(-c3ccc(F)cc3)[se]2)cc1
InChIInChI=1S/C15H11FN2Se/c1-10-2-4-11(5-3-10)14-17-18-15(19-14)12-6-8-13(16)9-7-12/h2-9H,1H3
InChIKeyUHPLFAFDXVWMDV-UHFFFAOYSA-N
XLogP3.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 53.32
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

2-(4-Fluorophenyl)-5-phenyl-1,3,4-selenadiazole
CID 42604461
2-(3-Fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole
CID 44556653
2,5-Diphenyl-1,3,4-selenadiazole
CID 13866377
2-(4-Fluorophenyl)-1,3,4-selenadiazole
CID 71482567
2-(4-Fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole
CID 71504911
2-(2-Fluorophenyl)-5-phenyl-1,3,4-thiadiazole
CID 139674306
2-(4-Fluorophenyl)-5-phenyl-1,3,4-thiadiazole
CID 139674320
2-(3-Fluorophenyl)-5-phenyl-1,3,4-thiadiazole
CID 139674334
2-(2,4-Difluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole
CID 148228653
2-(3-Fluoro-4-methylphenyl)-5-(3-fluorophenyl)-1,3,4-thiadiazole
CID 158199736
2-(3-Fluoro-4-methylphenyl)-5-(2,3,4-trifluorophenyl)-1,3,4-thiadiazole
CID 158954496
2-(3-Fluoro-4-methylphenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole
CID 159497608

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-selenadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-selenadiazole (CID 42603506) is 2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-selenadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-selenadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-selenadiazole is Cc1ccc(-c2nnc(-c3ccc(F)cc3)[se]2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-selenadiazole?
The InChIKey is UHPLFAFDXVWMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2Se/c1-10-2-4-11(5-3-10)14-17-18-15(19-14)12-6-8-13(16)9-7-12/h2-9H,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-selenadiazole?
2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-selenadiazole has a molecular weight of 317.23 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-selenadiazole is sourced from PubChem (CID 42603506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).