4-fluoro-5-phenylmethoxy-2H-triazole

C9H8FN3O — CID 141212904

IUPAC4-fluoro-5-phenylmethoxy-2H-triazole
SMILESFc1n[nH]nc1OCc1ccccc1
InChIInChI=1S/C9H8FN3O/c10-8-9(12-13-11-8)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12,13)
InChIKeyKENIRIXNPSDJHE-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.52
Rot. Bonds3

About 4-fluoro-5-phenylmethoxy-2H-triazole

4-fluoro-5-phenylmethoxy-2H-triazole (PubChem CID 141212904) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 4-fluoro-5-phenylmethoxy-2H-triazole.

Molecular Properties

Compound Name4-fluoro-5-phenylmethoxy-2H-triazole
PubChem CID141212904
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name4-fluoro-5-phenylmethoxy-2H-triazole
SMILESFc1n[nH]nc1OCc1ccccc1
InChIInChI=1S/C9H8FN3O/c10-8-9(12-13-11-8)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12,13)
InChIKeyKENIRIXNPSDJHE-UHFFFAOYSA-N
XLogP1.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-5-phenylmethoxy-2H-triazole 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 4-fluoro-5-phenylmethoxy-2H-triazole?
The IUPAC name of 4-fluoro-5-phenylmethoxy-2H-triazole (CID 141212904) is 4-fluoro-5-phenylmethoxy-2H-triazole.
What is the SMILES notation for 4-fluoro-5-phenylmethoxy-2H-triazole?
The canonical SMILES for 4-fluoro-5-phenylmethoxy-2H-triazole is Fc1n[nH]nc1OCc1ccccc1.
What is the InChIKey of 4-fluoro-5-phenylmethoxy-2H-triazole?
The InChIKey is KENIRIXNPSDJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c10-8-9(12-13-11-8)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12,13).
What are the key properties of 4-fluoro-5-phenylmethoxy-2H-triazole?
4-fluoro-5-phenylmethoxy-2H-triazole has a molecular weight of 193.18 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-phenylmethoxy-2H-triazole is sourced from PubChem (CID 141212904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).