5-(4-tert-butylphenyl)-1-(4-fluorophenyl)tetrazole

C17H17FN4 — CID 821339

IUPAC5-(4-tert-butylphenyl)-1-(4-fluorophenyl)tetrazole
SMILESCC(C)(C)c1ccc(-c2nnnn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN4/c1-17(2,3)13-6-4-12(5-7-13)16-19-20-21-22(16)15-10-8-14(18)9-11-15/h4-11H,1-3H3
InChIKeyQASLZTXHBLNRRB-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.77
Rot. Bonds2

About 5-(4-tert-butylphenyl)-1-(4-fluorophenyl)tetrazole

5-(4-tert-butylphenyl)-1-(4-fluorophenyl)tetrazole (PubChem CID 821339) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-1-(4-fluorophenyl)tetrazole.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-1-(4-fluorophenyl)tetrazole
PubChem CID821339
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Name5-(4-tert-butylphenyl)-1-(4-fluorophenyl)tetrazole
SMILESCC(C)(C)c1ccc(-c2nnnn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN4/c1-17(2,3)13-6-4-12(5-7-13)16-19-20-21-22(16)15-10-8-14(18)9-11-15/h4-11H,1-3H3
InChIKeyQASLZTXHBLNRRB-UHFFFAOYSA-N
XLogP3.77
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-1-(4-fluorophenyl)tetrazole?
The IUPAC name of 5-(4-tert-butylphenyl)-1-(4-fluorophenyl)tetrazole (CID 821339) is 5-(4-tert-butylphenyl)-1-(4-fluorophenyl)tetrazole.
What is the SMILES notation for 5-(4-tert-butylphenyl)-1-(4-fluorophenyl)tetrazole?
The canonical SMILES for 5-(4-tert-butylphenyl)-1-(4-fluorophenyl)tetrazole is CC(C)(C)c1ccc(-c2nnnn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-1-(4-fluorophenyl)tetrazole?
The InChIKey is QASLZTXHBLNRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4/c1-17(2,3)13-6-4-12(5-7-13)16-19-20-21-22(16)15-10-8-14(18)9-11-15/h4-11H,1-3H3.
What are the key properties of 5-(4-tert-butylphenyl)-1-(4-fluorophenyl)tetrazole?
5-(4-tert-butylphenyl)-1-(4-fluorophenyl)tetrazole has a molecular weight of 296.35 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-1-(4-fluorophenyl)tetrazole is sourced from PubChem (CID 821339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).