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

C16H10F3NSe — CID 155679843

IUPAC5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-selenazole
SMILESFC(F)(F)c1ccc(-c2cc(-c3ccccc3)[se]n2)cc1
InChIInChI=1S/C16H10F3NSe/c17-16(18,19)13-8-6-11(7-9-13)14-10-15(21-20-14)12-4-2-1-3-5-12/h1-10H
InChIKeyDRGPZHNUGLMQIN-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.49
Rot. Bonds2

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

5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-selenazole (PubChem CID 155679843) has the molecular formula C16H10F3NSe and a molecular weight of 352.22 g/mol. Its IUPAC name is 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-selenazole.

Molecular Properties

Compound Name5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-selenazole
PubChem CID155679843
Molecular FormulaC16H10F3NSe
Molecular Weight352.22 g/mol
Exact Mass352.99
IUPAC Name5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-selenazole
SMILESFC(F)(F)c1ccc(-c2cc(-c3ccccc3)[se]n2)cc1
InChIInChI=1S/C16H10F3NSe/c17-16(18,19)13-8-6-11(7-9-13)14-10-15(21-20-14)12-4-2-1-3-5-12/h1-10H
InChIKeyDRGPZHNUGLMQIN-UHFFFAOYSA-N
XLogP4.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.49
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-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-selenazole?
The IUPAC name of 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-selenazole (CID 155679843) is 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-selenazole.
What is the SMILES notation for 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-selenazole?
The canonical SMILES for 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-selenazole is FC(F)(F)c1ccc(-c2cc(-c3ccccc3)[se]n2)cc1.
What is the InChIKey of 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-selenazole?
The InChIKey is DRGPZHNUGLMQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NSe/c17-16(18,19)13-8-6-11(7-9-13)14-10-15(21-20-14)12-4-2-1-3-5-12/h1-10H.
What are the key properties of 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-selenazole?
5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-selenazole has a molecular weight of 352.22 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-selenazole is sourced from PubChem (CID 155679843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).