1-benzyl-5-(3-bromo-4-fluorophenyl)tetrazole

C14H10BrFN4 — CID 11688561

IUPAC1-benzyl-5-(3-bromo-4-fluorophenyl)tetrazole
SMILESFc1ccc(-c2nnnn2Cc2ccccc2)cc1Br
InChIInChI=1S/C14H10BrFN4/c15-12-8-11(6-7-13(12)16)14-17-18-19-20(14)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyTZOIXUVFEPSCJG-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.29
Rot. Bonds3

About 1-benzyl-5-(3-bromo-4-fluorophenyl)tetrazole

1-benzyl-5-(3-bromo-4-fluorophenyl)tetrazole (PubChem CID 11688561) has the molecular formula C14H10BrFN4 and a molecular weight of 333.16 g/mol. Its IUPAC name is 1-benzyl-5-(3-bromo-4-fluorophenyl)tetrazole.

Molecular Properties

Compound Name1-benzyl-5-(3-bromo-4-fluorophenyl)tetrazole
PubChem CID11688561
Molecular FormulaC14H10BrFN4
Molecular Weight333.16 g/mol
Exact Mass332.01
IUPAC Name1-benzyl-5-(3-bromo-4-fluorophenyl)tetrazole
SMILESFc1ccc(-c2nnnn2Cc2ccccc2)cc1Br
InChIInChI=1S/C14H10BrFN4/c15-12-8-11(6-7-13(12)16)14-17-18-19-20(14)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyTZOIXUVFEPSCJG-UHFFFAOYSA-N
XLogP3.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(3-bromo-4-fluorophenyl)tetrazole?
The IUPAC name of 1-benzyl-5-(3-bromo-4-fluorophenyl)tetrazole (CID 11688561) is 1-benzyl-5-(3-bromo-4-fluorophenyl)tetrazole.
What is the SMILES notation for 1-benzyl-5-(3-bromo-4-fluorophenyl)tetrazole?
The canonical SMILES for 1-benzyl-5-(3-bromo-4-fluorophenyl)tetrazole is Fc1ccc(-c2nnnn2Cc2ccccc2)cc1Br.
What is the InChIKey of 1-benzyl-5-(3-bromo-4-fluorophenyl)tetrazole?
The InChIKey is TZOIXUVFEPSCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN4/c15-12-8-11(6-7-13(12)16)14-17-18-19-20(14)9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 1-benzyl-5-(3-bromo-4-fluorophenyl)tetrazole?
1-benzyl-5-(3-bromo-4-fluorophenyl)tetrazole has a molecular weight of 333.16 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(3-bromo-4-fluorophenyl)tetrazole is sourced from PubChem (CID 11688561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).