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

C21H17FN4 — CID 73052518

IUPAC5-[2-(2-ethylphenyl)phenyl]-1-(2-fluorophenyl)tetrazole
SMILESCCc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F
InChIInChI=1S/C21H17FN4/c1-2-15-9-3-4-10-16(15)17-11-5-6-12-18(17)21-23-24-25-26(21)20-14-8-7-13-19(20)22/h3-14H,2H2,1H3
InChIKeyYVMVUCAUOWUCNU-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.70
Rot. Bonds4

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

5-[2-(2-ethylphenyl)phenyl]-1-(2-fluorophenyl)tetrazole (PubChem CID 73052518) has the molecular formula C21H17FN4 and a molecular weight of 344.39 g/mol. Its IUPAC name is 5-[2-(2-ethylphenyl)phenyl]-1-(2-fluorophenyl)tetrazole.

Molecular Properties

Compound Name5-[2-(2-ethylphenyl)phenyl]-1-(2-fluorophenyl)tetrazole
PubChem CID73052518
Molecular FormulaC21H17FN4
Molecular Weight344.39 g/mol
Exact Mass344.14
IUPAC Name5-[2-(2-ethylphenyl)phenyl]-1-(2-fluorophenyl)tetrazole
SMILESCCc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F
InChIInChI=1S/C21H17FN4/c1-2-15-9-3-4-10-16(15)17-11-5-6-12-18(17)21-23-24-25-26(21)20-14-8-7-13-19(20)22/h3-14H,2H2,1H3
InChIKeyYVMVUCAUOWUCNU-UHFFFAOYSA-N
XLogP4.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-ethylphenyl)phenyl]-1-(2-fluorophenyl)tetrazole?
The IUPAC name of 5-[2-(2-ethylphenyl)phenyl]-1-(2-fluorophenyl)tetrazole (CID 73052518) is 5-[2-(2-ethylphenyl)phenyl]-1-(2-fluorophenyl)tetrazole.
What is the SMILES notation for 5-[2-(2-ethylphenyl)phenyl]-1-(2-fluorophenyl)tetrazole?
The canonical SMILES for 5-[2-(2-ethylphenyl)phenyl]-1-(2-fluorophenyl)tetrazole is CCc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F.
What is the InChIKey of 5-[2-(2-ethylphenyl)phenyl]-1-(2-fluorophenyl)tetrazole?
The InChIKey is YVMVUCAUOWUCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4/c1-2-15-9-3-4-10-16(15)17-11-5-6-12-18(17)21-23-24-25-26(21)20-14-8-7-13-19(20)22/h3-14H,2H2,1H3.
What are the key properties of 5-[2-(2-ethylphenyl)phenyl]-1-(2-fluorophenyl)tetrazole?
5-[2-(2-ethylphenyl)phenyl]-1-(2-fluorophenyl)tetrazole has a molecular weight of 344.39 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-ethylphenyl)phenyl]-1-(2-fluorophenyl)tetrazole is sourced from PubChem (CID 73052518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).