1-(4-methoxyphenyl)-5-(trifluoromethyl)tetrazole

C9H7F3N4O — CID 11118262

IUPAC1-(4-methoxyphenyl)-5-(trifluoromethyl)tetrazole
SMILESCOc1ccc(-n2nnnc2C(F)(F)F)cc1
InChIInChI=1S/C9H7F3N4O/c1-17-7-4-2-6(3-5-7)16-8(9(10,11)12)13-14-15-16/h2-5H,1H3
InChIKeyKXUBVJUFPNGQDD-UHFFFAOYSA-N
MW244.18 g/mol
LogP1.69
Rot. Bonds2

About 1-(4-methoxyphenyl)-5-(trifluoromethyl)tetrazole

1-(4-methoxyphenyl)-5-(trifluoromethyl)tetrazole (PubChem CID 11118262) has the molecular formula C9H7F3N4O and a molecular weight of 244.18 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-(trifluoromethyl)tetrazole
PubChem CID11118262
Molecular FormulaC9H7F3N4O
Molecular Weight244.18 g/mol
Exact Mass244.06
IUPAC Name1-(4-methoxyphenyl)-5-(trifluoromethyl)tetrazole
SMILESCOc1ccc(-n2nnnc2C(F)(F)F)cc1
InChIInChI=1S/C9H7F3N4O/c1-17-7-4-2-6(3-5-7)16-8(9(10,11)12)13-14-15-16/h2-5H,1H3
InChIKeyKXUBVJUFPNGQDD-UHFFFAOYSA-N
XLogP1.69
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxyphenyl)-5-(trifluoromethyl)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 1-(4-methoxyphenyl)-5-(trifluoromethyl)tetrazole?
The IUPAC name of 1-(4-methoxyphenyl)-5-(trifluoromethyl)tetrazole (CID 11118262) is 1-(4-methoxyphenyl)-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-(trifluoromethyl)tetrazole?
The canonical SMILES for 1-(4-methoxyphenyl)-5-(trifluoromethyl)tetrazole is COc1ccc(-n2nnnc2C(F)(F)F)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-(trifluoromethyl)tetrazole?
The InChIKey is KXUBVJUFPNGQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O/c1-17-7-4-2-6(3-5-7)16-8(9(10,11)12)13-14-15-16/h2-5H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-5-(trifluoromethyl)tetrazole?
1-(4-methoxyphenyl)-5-(trifluoromethyl)tetrazole has a molecular weight of 244.18 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-(trifluoromethyl)tetrazole is sourced from PubChem (CID 11118262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).