5-[2-(2-bromophenyl)phenyl]-1-(2-fluorophenyl)tetrazole

C19H12BrFN4 — CID 73052994

IUPAC5-[2-(2-bromophenyl)phenyl]-1-(2-fluorophenyl)tetrazole
SMILESFc1ccccc1-n1nnnc1-c1ccccc1-c1ccccc1Br
InChIInChI=1S/C19H12BrFN4/c20-16-10-4-3-8-14(16)13-7-1-2-9-15(13)19-22-23-24-25(19)18-12-6-5-11-17(18)21/h1-12H
InChIKeyZIVOXTYYWOMVOG-UHFFFAOYSA-N
MW395.24 g/mol
LogP4.90
Rot. Bonds3

About 5-[2-(2-bromophenyl)phenyl]-1-(2-fluorophenyl)tetrazole

5-[2-(2-bromophenyl)phenyl]-1-(2-fluorophenyl)tetrazole (PubChem CID 73052994) has the molecular formula C19H12BrFN4 and a molecular weight of 395.24 g/mol. Its IUPAC name is 5-[2-(2-bromophenyl)phenyl]-1-(2-fluorophenyl)tetrazole.

Molecular Properties

Compound Name5-[2-(2-bromophenyl)phenyl]-1-(2-fluorophenyl)tetrazole
PubChem CID73052994
Molecular FormulaC19H12BrFN4
Molecular Weight395.24 g/mol
Exact Mass394.02
IUPAC Name5-[2-(2-bromophenyl)phenyl]-1-(2-fluorophenyl)tetrazole
SMILESFc1ccccc1-n1nnnc1-c1ccccc1-c1ccccc1Br
InChIInChI=1S/C19H12BrFN4/c20-16-10-4-3-8-14(16)13-7-1-2-9-15(13)19-22-23-24-25(19)18-12-6-5-11-17(18)21/h1-12H
InChIKeyZIVOXTYYWOMVOG-UHFFFAOYSA-N
XLogP4.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-bromophenyl)phenyl]-1-(2-fluorophenyl)tetrazole?
The IUPAC name of 5-[2-(2-bromophenyl)phenyl]-1-(2-fluorophenyl)tetrazole (CID 73052994) is 5-[2-(2-bromophenyl)phenyl]-1-(2-fluorophenyl)tetrazole.
What is the SMILES notation for 5-[2-(2-bromophenyl)phenyl]-1-(2-fluorophenyl)tetrazole?
The canonical SMILES for 5-[2-(2-bromophenyl)phenyl]-1-(2-fluorophenyl)tetrazole is Fc1ccccc1-n1nnnc1-c1ccccc1-c1ccccc1Br.
What is the InChIKey of 5-[2-(2-bromophenyl)phenyl]-1-(2-fluorophenyl)tetrazole?
The InChIKey is ZIVOXTYYWOMVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrFN4/c20-16-10-4-3-8-14(16)13-7-1-2-9-15(13)19-22-23-24-25(19)18-12-6-5-11-17(18)21/h1-12H.
What are the key properties of 5-[2-(2-bromophenyl)phenyl]-1-(2-fluorophenyl)tetrazole?
5-[2-(2-bromophenyl)phenyl]-1-(2-fluorophenyl)tetrazole has a molecular weight of 395.24 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-bromophenyl)phenyl]-1-(2-fluorophenyl)tetrazole is sourced from PubChem (CID 73052994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).