1-(4-bromo-2-fluorophenyl)-5-phenyltetrazole

C13H8BrFN4 — CID 62076820

IUPAC1-(4-bromo-2-fluorophenyl)-5-phenyltetrazole
SMILESFc1cc(Br)ccc1-n1nnnc1-c1ccccc1
InChIInChI=1S/C13H8BrFN4/c14-10-6-7-12(11(15)8-10)19-13(16-17-18-19)9-4-2-1-3-5-9/h1-8H
InChIKeyZUKPAWXQUJWGEN-UHFFFAOYSA-N
MW319.14 g/mol
LogP3.23
Rot. Bonds2

About 1-(4-bromo-2-fluorophenyl)-5-phenyltetrazole

1-(4-bromo-2-fluorophenyl)-5-phenyltetrazole (PubChem CID 62076820) has the molecular formula C13H8BrFN4 and a molecular weight of 319.14 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-5-phenyltetrazole.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-5-phenyltetrazole
PubChem CID62076820
Molecular FormulaC13H8BrFN4
Molecular Weight319.14 g/mol
Exact Mass317.99
IUPAC Name1-(4-bromo-2-fluorophenyl)-5-phenyltetrazole
SMILESFc1cc(Br)ccc1-n1nnnc1-c1ccccc1
InChIInChI=1S/C13H8BrFN4/c14-10-6-7-12(11(15)8-10)19-13(16-17-18-19)9-4-2-1-3-5-9/h1-8H
InChIKeyZUKPAWXQUJWGEN-UHFFFAOYSA-N
XLogP3.23
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-5-phenyltetrazole?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-5-phenyltetrazole (CID 62076820) is 1-(4-bromo-2-fluorophenyl)-5-phenyltetrazole.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-5-phenyltetrazole?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-5-phenyltetrazole is Fc1cc(Br)ccc1-n1nnnc1-c1ccccc1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-5-phenyltetrazole?
The InChIKey is ZUKPAWXQUJWGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN4/c14-10-6-7-12(11(15)8-10)19-13(16-17-18-19)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-5-phenyltetrazole?
1-(4-bromo-2-fluorophenyl)-5-phenyltetrazole has a molecular weight of 319.14 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-5-phenyltetrazole is sourced from PubChem (CID 62076820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).