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

C16H11FN4O — CID 100984767

IUPAC1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]tetrazole
SMILESFc1ccc(C(c2cc3ccccc3o2)n2cnnn2)cc1
InChIInChI=1S/C16H11FN4O/c17-13-7-5-11(6-8-13)16(21-10-18-19-20-21)15-9-12-3-1-2-4-14(12)22-15/h1-10,16H
InChIKeyZVKLSRSZWYTMDL-UHFFFAOYSA-N
MW294.29 g/mol
LogP3.20
Rot. Bonds3

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

1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]tetrazole (PubChem CID 100984767) has the molecular formula C16H11FN4O and a molecular weight of 294.29 g/mol. Its IUPAC name is 1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]tetrazole.

Molecular Properties

Compound Name1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]tetrazole
PubChem CID100984767
Molecular FormulaC16H11FN4O
Molecular Weight294.29 g/mol
Exact Mass294.09
IUPAC Name1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]tetrazole
SMILESFc1ccc(C(c2cc3ccccc3o2)n2cnnn2)cc1
InChIInChI=1S/C16H11FN4O/c17-13-7-5-11(6-8-13)16(21-10-18-19-20-21)15-9-12-3-1-2-4-14(12)22-15/h1-10,16H
InChIKeyZVKLSRSZWYTMDL-UHFFFAOYSA-N
XLogP3.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]tetrazole?
The IUPAC name of 1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]tetrazole (CID 100984767) is 1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]tetrazole.
What is the SMILES notation for 1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]tetrazole?
The canonical SMILES for 1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]tetrazole is Fc1ccc(C(c2cc3ccccc3o2)n2cnnn2)cc1.
What is the InChIKey of 1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]tetrazole?
The InChIKey is ZVKLSRSZWYTMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O/c17-13-7-5-11(6-8-13)16(21-10-18-19-20-21)15-9-12-3-1-2-4-14(12)22-15/h1-10,16H.
What are the key properties of 1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]tetrazole?
1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]tetrazole has a molecular weight of 294.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzofuran-2-yl-(4-fluorophenyl)methyl]tetrazole is sourced from PubChem (CID 100984767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).