5-(4-chlorophenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole

C16H9ClF3NSe — CID 175493045

IUPAC5-(4-chlorophenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole
SMILESFC(F)(F)c1c(-c2ccccc2)n[se]c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H9ClF3NSe/c17-12-8-6-11(7-9-12)15-13(16(18,19)20)14(21-22-15)10-4-2-1-3-5-10/h1-9H
InChIKeyDJDXQTXUHGRENA-UHFFFAOYSA-N
MW386.66 g/mol
LogP5.14
Rot. Bonds2

About 5-(4-chlorophenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole

5-(4-chlorophenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole (PubChem CID 175493045) has the molecular formula C16H9ClF3NSe and a molecular weight of 386.66 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole
PubChem CID175493045
Molecular FormulaC16H9ClF3NSe
Molecular Weight386.66 g/mol
Exact Mass386.95
IUPAC Name5-(4-chlorophenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole
SMILESFC(F)(F)c1c(-c2ccccc2)n[se]c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H9ClF3NSe/c17-12-8-6-11(7-9-12)15-13(16(18,19)20)14(21-22-15)10-4-2-1-3-5-10/h1-9H
InChIKeyDJDXQTXUHGRENA-UHFFFAOYSA-N
XLogP5.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.66
LogP ≤ 55.14
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 5-(4-chlorophenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole?
The IUPAC name of 5-(4-chlorophenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole (CID 175493045) is 5-(4-chlorophenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole is FC(F)(F)c1c(-c2ccccc2)n[se]c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole?
The InChIKey is DJDXQTXUHGRENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3NSe/c17-12-8-6-11(7-9-12)15-13(16(18,19)20)14(21-22-15)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 5-(4-chlorophenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole?
5-(4-chlorophenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole has a molecular weight of 386.66 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole is sourced from PubChem (CID 175493045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).