4-[3-(2-chloro-4-fluorophenyl)phenyl]-1,2,4-triazole

C14H9ClFN3 — CID 56707822

IUPAC4-[3-(2-chloro-4-fluorophenyl)phenyl]-1,2,4-triazole
SMILESFc1ccc(-c2cccc(-n3cnnc3)c2)c(Cl)c1
InChIInChI=1S/C14H9ClFN3/c15-14-7-11(16)4-5-13(14)10-2-1-3-12(6-10)19-8-17-18-9-19/h1-9H
InChIKeyTWSLVVATZYLKDX-UHFFFAOYSA-N
MW273.70 g/mol
LogP3.73
Rot. Bonds2

About 4-[3-(2-chloro-4-fluorophenyl)phenyl]-1,2,4-triazole

4-[3-(2-chloro-4-fluorophenyl)phenyl]-1,2,4-triazole (PubChem CID 56707822) has the molecular formula C14H9ClFN3 and a molecular weight of 273.70 g/mol. Its IUPAC name is 4-[3-(2-chloro-4-fluorophenyl)phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-[3-(2-chloro-4-fluorophenyl)phenyl]-1,2,4-triazole
PubChem CID56707822
Molecular FormulaC14H9ClFN3
Molecular Weight273.70 g/mol
Exact Mass273.05
IUPAC Name4-[3-(2-chloro-4-fluorophenyl)phenyl]-1,2,4-triazole
SMILESFc1ccc(-c2cccc(-n3cnnc3)c2)c(Cl)c1
InChIInChI=1S/C14H9ClFN3/c15-14-7-11(16)4-5-13(14)10-2-1-3-12(6-10)19-8-17-18-9-19/h1-9H
InChIKeyTWSLVVATZYLKDX-UHFFFAOYSA-N
XLogP3.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.70
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3-(2-chloro-4-fluorophenyl)phenyl]-1,2,4-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-[3-(2-chloro-4-fluorophenyl)phenyl]-1,2,4-triazole?
The IUPAC name of 4-[3-(2-chloro-4-fluorophenyl)phenyl]-1,2,4-triazole (CID 56707822) is 4-[3-(2-chloro-4-fluorophenyl)phenyl]-1,2,4-triazole.
What is the SMILES notation for 4-[3-(2-chloro-4-fluorophenyl)phenyl]-1,2,4-triazole?
The canonical SMILES for 4-[3-(2-chloro-4-fluorophenyl)phenyl]-1,2,4-triazole is Fc1ccc(-c2cccc(-n3cnnc3)c2)c(Cl)c1.
What is the InChIKey of 4-[3-(2-chloro-4-fluorophenyl)phenyl]-1,2,4-triazole?
The InChIKey is TWSLVVATZYLKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3/c15-14-7-11(16)4-5-13(14)10-2-1-3-12(6-10)19-8-17-18-9-19/h1-9H.
What are the key properties of 4-[3-(2-chloro-4-fluorophenyl)phenyl]-1,2,4-triazole?
4-[3-(2-chloro-4-fluorophenyl)phenyl]-1,2,4-triazole has a molecular weight of 273.70 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chloro-4-fluorophenyl)phenyl]-1,2,4-triazole is sourced from PubChem (CID 56707822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).