4-(4-fluorophenyl)-1,3-selenazole

C9H6FNSe — CID 11629970

IUPAC4-(4-fluorophenyl)-1,3-selenazole
SMILESFc1ccc(-c2c[se]cn2)cc1
InChIInChI=1S/C9H6FNSe/c10-8-3-1-7(2-4-8)9-5-12-6-11-9/h1-6H
InChIKeyOAQPQOQIDWOSFK-UHFFFAOYSA-N
MW226.11 g/mol
LogP1.94
Rot. Bonds1

About 4-(4-fluorophenyl)-1,3-selenazole

4-(4-fluorophenyl)-1,3-selenazole (PubChem CID 11629970) has the molecular formula C9H6FNSe and a molecular weight of 226.11 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1,3-selenazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1,3-selenazole
PubChem CID11629970
Molecular FormulaC9H6FNSe
Molecular Weight226.11 g/mol
Exact Mass226.96
IUPAC Name4-(4-fluorophenyl)-1,3-selenazole
SMILESFc1ccc(-c2c[se]cn2)cc1
InChIInChI=1S/C9H6FNSe/c10-8-3-1-7(2-4-8)9-5-12-6-11-9/h1-6H
InChIKeyOAQPQOQIDWOSFK-UHFFFAOYSA-N
XLogP1.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1,3-selenazole?
The IUPAC name of 4-(4-fluorophenyl)-1,3-selenazole (CID 11629970) is 4-(4-fluorophenyl)-1,3-selenazole.
What is the SMILES notation for 4-(4-fluorophenyl)-1,3-selenazole?
The canonical SMILES for 4-(4-fluorophenyl)-1,3-selenazole is Fc1ccc(-c2c[se]cn2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1,3-selenazole?
The InChIKey is OAQPQOQIDWOSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNSe/c10-8-3-1-7(2-4-8)9-5-12-6-11-9/h1-6H.
What are the key properties of 4-(4-fluorophenyl)-1,3-selenazole?
4-(4-fluorophenyl)-1,3-selenazole has a molecular weight of 226.11 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1,3-selenazole is sourced from PubChem (CID 11629970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).