1-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]triazole

C17H14ClF2N3 — CID 70502559

IUPAC1-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]triazole
SMILESFc1ccc(CC(F)(Cn2ccnn2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14ClF2N3/c18-15-5-3-14(4-6-15)17(20,12-23-10-9-21-22-23)11-13-1-7-16(19)8-2-13/h1-10H,11-12H2
InChIKeyJYHPRBJUXZFZHR-UHFFFAOYSA-N
MW333.77 g/mol
LogP4.18
Rot. Bonds5

About 1-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]triazole

1-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]triazole (PubChem CID 70502559) has the molecular formula C17H14ClF2N3 and a molecular weight of 333.77 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]triazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]triazole
PubChem CID70502559
Molecular FormulaC17H14ClF2N3
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name1-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]triazole
SMILESFc1ccc(CC(F)(Cn2ccnn2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14ClF2N3/c18-15-5-3-14(4-6-15)17(20,12-23-10-9-21-22-23)11-13-1-7-16(19)8-2-13/h1-10H,11-12H2
InChIKeyJYHPRBJUXZFZHR-UHFFFAOYSA-N
XLogP4.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]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 1-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]triazole?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]triazole (CID 70502559) is 1-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]triazole.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]triazole?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]triazole is Fc1ccc(CC(F)(Cn2ccnn2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]triazole?
The InChIKey is JYHPRBJUXZFZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3/c18-15-5-3-14(4-6-15)17(20,12-23-10-9-21-22-23)11-13-1-7-16(19)8-2-13/h1-10H,11-12H2.
What are the key properties of 1-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]triazole?
1-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]triazole has a molecular weight of 333.77 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]triazole is sourced from PubChem (CID 70502559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).