5-[(2-fluorophenoxy)methyl]-2H-tetrazole

C8H7FN4O — CID 5299257

IUPAC5-[(2-fluorophenoxy)methyl]-2H-tetrazole
SMILESFc1ccccc1OCc1nn[nH]n1
InChIInChI=1S/C8H7FN4O/c9-6-3-1-2-4-7(6)14-5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13)
InChIKeyQLQRUZOLCDSVAU-UHFFFAOYSA-N
MW194.17 g/mol
LogP0.92
Rot. Bonds3

About 5-[(2-fluorophenoxy)methyl]-2H-tetrazole

5-[(2-fluorophenoxy)methyl]-2H-tetrazole (PubChem CID 5299257) has the molecular formula C8H7FN4O and a molecular weight of 194.17 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methyl]-2H-tetrazole
PubChem CID5299257
Molecular FormulaC8H7FN4O
Molecular Weight194.17 g/mol
Exact Mass194.06
IUPAC Name5-[(2-fluorophenoxy)methyl]-2H-tetrazole
SMILESFc1ccccc1OCc1nn[nH]n1
InChIInChI=1S/C8H7FN4O/c9-6-3-1-2-4-7(6)14-5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13)
InChIKeyQLQRUZOLCDSVAU-UHFFFAOYSA-N
XLogP0.92
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2-fluorophenoxy)methyl]-2H-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-[(2-fluorophenoxy)methyl]-2H-tetrazole?
The IUPAC name of 5-[(2-fluorophenoxy)methyl]-2H-tetrazole (CID 5299257) is 5-[(2-fluorophenoxy)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[(2-fluorophenoxy)methyl]-2H-tetrazole?
The canonical SMILES for 5-[(2-fluorophenoxy)methyl]-2H-tetrazole is Fc1ccccc1OCc1nn[nH]n1.
What is the InChIKey of 5-[(2-fluorophenoxy)methyl]-2H-tetrazole?
The InChIKey is QLQRUZOLCDSVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4O/c9-6-3-1-2-4-7(6)14-5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13).
What are the key properties of 5-[(2-fluorophenoxy)methyl]-2H-tetrazole?
5-[(2-fluorophenoxy)methyl]-2H-tetrazole has a molecular weight of 194.17 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenoxy)methyl]-2H-tetrazole is sourced from PubChem (CID 5299257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).