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

C19H12ClFN4 — CID 73052516

IUPAC5-[2-(2-chlorophenyl)phenyl]-1-(2-fluorophenyl)tetrazole
SMILESFc1ccccc1-n1nnnc1-c1ccccc1-c1ccccc1Cl
InChIInChI=1S/C19H12ClFN4/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
InChIKeyDHBAVMUOYGXNDE-UHFFFAOYSA-N
MW350.78 g/mol
LogP4.79
Rot. Bonds3

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

5-[2-(2-chlorophenyl)phenyl]-1-(2-fluorophenyl)tetrazole (PubChem CID 73052516) has the molecular formula C19H12ClFN4 and a molecular weight of 350.78 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)phenyl]-1-(2-fluorophenyl)tetrazole.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)phenyl]-1-(2-fluorophenyl)tetrazole
PubChem CID73052516
Molecular FormulaC19H12ClFN4
Molecular Weight350.78 g/mol
Exact Mass350.07
IUPAC Name5-[2-(2-chlorophenyl)phenyl]-1-(2-fluorophenyl)tetrazole
SMILESFc1ccccc1-n1nnnc1-c1ccccc1-c1ccccc1Cl
InChIInChI=1S/C19H12ClFN4/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
InChIKeyDHBAVMUOYGXNDE-UHFFFAOYSA-N
XLogP4.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)phenyl]-1-(2-fluorophenyl)tetrazole?
The IUPAC name of 5-[2-(2-chlorophenyl)phenyl]-1-(2-fluorophenyl)tetrazole (CID 73052516) is 5-[2-(2-chlorophenyl)phenyl]-1-(2-fluorophenyl)tetrazole.
What is the SMILES notation for 5-[2-(2-chlorophenyl)phenyl]-1-(2-fluorophenyl)tetrazole?
The canonical SMILES for 5-[2-(2-chlorophenyl)phenyl]-1-(2-fluorophenyl)tetrazole is Fc1ccccc1-n1nnnc1-c1ccccc1-c1ccccc1Cl.
What is the InChIKey of 5-[2-(2-chlorophenyl)phenyl]-1-(2-fluorophenyl)tetrazole?
The InChIKey is DHBAVMUOYGXNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4/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-chlorophenyl)phenyl]-1-(2-fluorophenyl)tetrazole?
5-[2-(2-chlorophenyl)phenyl]-1-(2-fluorophenyl)tetrazole has a molecular weight of 350.78 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)phenyl]-1-(2-fluorophenyl)tetrazole is sourced from PubChem (CID 73052516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).