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

C14H9FN2Se — CID 42604461

IUPAC2-(4-fluorophenyl)-5-phenyl-1,3,4-selenadiazole
SMILESFc1ccc(-c2nnc(-c3ccccc3)[se]2)cc1
InChIInChI=1S/C14H9FN2Se/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9H
InChIKeyRHYWLFLKFVXLHK-UHFFFAOYSA-N
MW303.20 g/mol
LogP3.01
Rot. Bonds2

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

2-(4-fluorophenyl)-5-phenyl-1,3,4-selenadiazole (PubChem CID 42604461) has the molecular formula C14H9FN2Se and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-phenyl-1,3,4-selenadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-phenyl-1,3,4-selenadiazole
PubChem CID42604461
Molecular FormulaC14H9FN2Se
Molecular Weight303.20 g/mol
Exact Mass303.99
IUPAC Name2-(4-fluorophenyl)-5-phenyl-1,3,4-selenadiazole
SMILESFc1ccc(-c2nnc(-c3ccccc3)[se]2)cc1
InChIInChI=1S/C14H9FN2Se/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9H
InChIKeyRHYWLFLKFVXLHK-UHFFFAOYSA-N
XLogP3.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.01
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-(3-fluorobenzyl)-5-(4-fluorophenyl)-2H-tetrazole
CID 728717
2-(4-fluorobenzyl)-5-(4-fluorophenyl)-2H-tetrazole
CID 685752
2-[(2-Fluorophenyl)methyl]-5-phenyltetrazole
CID 876083
2-[(4-Fluorophenyl)methyl]-5-phenyltetrazole
CID 1331234
2-(4-Fluorophenyl)-5-(4-methylphenyl)-1,3,4-selenadiazole
CID 42603506
2-(3-Fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole
CID 44556653
2,5-Diphenyl-1,3,4-selenadiazole
CID 13866377
2-(2-fluorobenzyl)-5-(4-fluorophenyl)-2H-tetrazole
CID 685753
2-(4-Fluorophenyl)-1,3,4-selenadiazole
CID 71482567
2,5-Bis(4-fluorophenyl)-1,3,4-thiadiazole
CID 12130807
2-(4-Fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole
CID 71504911
2-(4-Fluorophenyl)-5-(2-phenylethyl)-1,3,4-thiadiazole
CID 90984447

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-phenyl-1,3,4-selenadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-phenyl-1,3,4-selenadiazole (CID 42604461) is 2-(4-fluorophenyl)-5-phenyl-1,3,4-selenadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-phenyl-1,3,4-selenadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-phenyl-1,3,4-selenadiazole is Fc1ccc(-c2nnc(-c3ccccc3)[se]2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-phenyl-1,3,4-selenadiazole?
The InChIKey is RHYWLFLKFVXLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2Se/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 2-(4-fluorophenyl)-5-phenyl-1,3,4-selenadiazole?
2-(4-fluorophenyl)-5-phenyl-1,3,4-selenadiazole has a molecular weight of 303.20 g/mol, XLogP of 3.01, 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-phenyl-1,3,4-selenadiazole is sourced from PubChem (CID 42604461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).