4-[(4-fluorophenyl)methyl]-2-phenyl-1,3-selenazole

C16H12FNSe — CID 101486767

IUPAC4-[(4-fluorophenyl)methyl]-2-phenyl-1,3-selenazole
SMILESFc1ccc(Cc2c[se]c(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H12FNSe/c17-14-8-6-12(7-9-14)10-15-11-19-16(18-15)13-4-2-1-3-5-13/h1-9,11H,10H2
InChIKeyDTVVXDBNXMBNTB-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.54
Rot. Bonds3

About 4-[(4-fluorophenyl)methyl]-2-phenyl-1,3-selenazole

4-[(4-fluorophenyl)methyl]-2-phenyl-1,3-selenazole (PubChem CID 101486767) has the molecular formula C16H12FNSe and a molecular weight of 316.24 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-2-phenyl-1,3-selenazole.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-2-phenyl-1,3-selenazole
PubChem CID101486767
Molecular FormulaC16H12FNSe
Molecular Weight316.24 g/mol
Exact Mass317.01
IUPAC Name4-[(4-fluorophenyl)methyl]-2-phenyl-1,3-selenazole
SMILESFc1ccc(Cc2c[se]c(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H12FNSe/c17-14-8-6-12(7-9-14)10-15-11-19-16(18-15)13-4-2-1-3-5-13/h1-9,11H,10H2
InChIKeyDTVVXDBNXMBNTB-UHFFFAOYSA-N
XLogP3.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.54
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)methyl]-2-phenyl-1,3-selenazole?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-2-phenyl-1,3-selenazole (CID 101486767) is 4-[(4-fluorophenyl)methyl]-2-phenyl-1,3-selenazole.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-2-phenyl-1,3-selenazole?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-2-phenyl-1,3-selenazole is Fc1ccc(Cc2c[se]c(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-2-phenyl-1,3-selenazole?
The InChIKey is DTVVXDBNXMBNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNSe/c17-14-8-6-12(7-9-14)10-15-11-19-16(18-15)13-4-2-1-3-5-13/h1-9,11H,10H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]-2-phenyl-1,3-selenazole?
4-[(4-fluorophenyl)methyl]-2-phenyl-1,3-selenazole has a molecular weight of 316.24 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-2-phenyl-1,3-selenazole is sourced from PubChem (CID 101486767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).