4-[4-(3-fluorophenyl)phenoxy]-2H-triazole

C14H10FN3O — CID 155653388

IUPAC4-[4-(3-fluorophenyl)phenoxy]-2H-triazole
SMILESFc1cccc(-c2ccc(Oc3cn[nH]n3)cc2)c1
InChIInChI=1S/C14H10FN3O/c15-12-3-1-2-11(8-12)10-4-6-13(7-5-10)19-14-9-16-18-17-14/h1-9H,(H,16,17,18)
InChIKeyNVZFMSODEQLYQW-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.40
Rot. Bonds3

About 4-[4-(3-fluorophenyl)phenoxy]-2H-triazole

4-[4-(3-fluorophenyl)phenoxy]-2H-triazole (PubChem CID 155653388) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)phenoxy]-2H-triazole.

Molecular Properties

Compound Name4-[4-(3-fluorophenyl)phenoxy]-2H-triazole
PubChem CID155653388
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name4-[4-(3-fluorophenyl)phenoxy]-2H-triazole
SMILESFc1cccc(-c2ccc(Oc3cn[nH]n3)cc2)c1
InChIInChI=1S/C14H10FN3O/c15-12-3-1-2-11(8-12)10-4-6-13(7-5-10)19-14-9-16-18-17-14/h1-9H,(H,16,17,18)
InChIKeyNVZFMSODEQLYQW-UHFFFAOYSA-N
XLogP3.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-(3-fluorophenyl)phenoxy]-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-[4-(3-fluorophenyl)phenoxy]-2H-triazole?
The IUPAC name of 4-[4-(3-fluorophenyl)phenoxy]-2H-triazole (CID 155653388) is 4-[4-(3-fluorophenyl)phenoxy]-2H-triazole.
What is the SMILES notation for 4-[4-(3-fluorophenyl)phenoxy]-2H-triazole?
The canonical SMILES for 4-[4-(3-fluorophenyl)phenoxy]-2H-triazole is Fc1cccc(-c2ccc(Oc3cn[nH]n3)cc2)c1.
What is the InChIKey of 4-[4-(3-fluorophenyl)phenoxy]-2H-triazole?
The InChIKey is NVZFMSODEQLYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-12-3-1-2-11(8-12)10-4-6-13(7-5-10)19-14-9-16-18-17-14/h1-9H,(H,16,17,18).
What are the key properties of 4-[4-(3-fluorophenyl)phenoxy]-2H-triazole?
4-[4-(3-fluorophenyl)phenoxy]-2H-triazole has a molecular weight of 255.25 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluorophenyl)phenoxy]-2H-triazole is sourced from PubChem (CID 155653388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).