5-(4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole

C15H11F3N4 — CID 2727084

IUPAC5-(4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole
SMILESCc1ccc(-c2nnnn2-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H11F3N4/c1-10-6-8-11(9-7-10)14-19-20-21-22(14)13-5-3-2-4-12(13)15(16,17)18/h2-9H,1H3
InChIKeyPKCZKCDEIBHSEE-UHFFFAOYSA-N
MW304.28 g/mol
LogP3.66
Rot. Bonds2

About 5-(4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole

5-(4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole (PubChem CID 2727084) has the molecular formula C15H11F3N4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole
PubChem CID2727084
Molecular FormulaC15H11F3N4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name5-(4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole
SMILESCc1ccc(-c2nnnn2-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H11F3N4/c1-10-6-8-11(9-7-10)14-19-20-21-22(14)13-5-3-2-4-12(13)15(16,17)18/h2-9H,1H3
InChIKeyPKCZKCDEIBHSEE-UHFFFAOYSA-N
XLogP3.66
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole?
The IUPAC name of 5-(4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole (CID 2727084) is 5-(4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole.
What is the SMILES notation for 5-(4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole?
The canonical SMILES for 5-(4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole is Cc1ccc(-c2nnnn2-c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole?
The InChIKey is PKCZKCDEIBHSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4/c1-10-6-8-11(9-7-10)14-19-20-21-22(14)13-5-3-2-4-12(13)15(16,17)18/h2-9H,1H3.
What are the key properties of 5-(4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole?
5-(4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole has a molecular weight of 304.28 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole is sourced from PubChem (CID 2727084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).