1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1,2,4-triazole

C17H12FN3O — CID 10379617

IUPAC1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1,2,4-triazole
SMILESFc1ccc(C(c2cc3ccccc3o2)n2cncn2)cc1
InChIInChI=1S/C17H12FN3O/c18-14-7-5-12(6-8-14)17(21-11-19-10-20-21)16-9-13-3-1-2-4-15(13)22-16/h1-11,17H
InChIKeyIJSFGDIBZZPYAY-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.80
Rot. Bonds3

About 1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1,2,4-triazole

1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1,2,4-triazole (PubChem CID 10379617) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is 1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1,2,4-triazole
PubChem CID10379617
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC Name1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1,2,4-triazole
SMILESFc1ccc(C(c2cc3ccccc3o2)n2cncn2)cc1
InChIInChI=1S/C17H12FN3O/c18-14-7-5-12(6-8-14)17(21-11-19-10-20-21)16-9-13-3-1-2-4-15(13)22-16/h1-11,17H
InChIKeyIJSFGDIBZZPYAY-UHFFFAOYSA-N
XLogP3.80
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1,2,4-triazole?
The IUPAC name of 1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1,2,4-triazole (CID 10379617) is 1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1,2,4-triazole.
What is the SMILES notation for 1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1,2,4-triazole?
The canonical SMILES for 1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1,2,4-triazole is Fc1ccc(C(c2cc3ccccc3o2)n2cncn2)cc1.
What is the InChIKey of 1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1,2,4-triazole?
The InChIKey is IJSFGDIBZZPYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O/c18-14-7-5-12(6-8-14)17(21-11-19-10-20-21)16-9-13-3-1-2-4-15(13)22-16/h1-11,17H.
What are the key properties of 1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1,2,4-triazole?
1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1,2,4-triazole has a molecular weight of 293.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]-1,2,4-triazole is sourced from PubChem (CID 10379617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).