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

C17H14ClF2N3 — CID 70502560

IUPAC4-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]-2H-triazole
SMILESFc1ccc(CC(F)(Cc2cn[nH]n2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14ClF2N3/c18-14-5-3-13(4-6-14)17(20,10-16-11-21-23-22-16)9-12-1-7-15(19)8-2-12/h1-8,11H,9-10H2,(H,21,22,23)
InChIKeyJIMHPUYXWXFKSX-UHFFFAOYSA-N
MW333.77 g/mol
LogP4.25
Rot. Bonds5

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

4-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]-2H-triazole (PubChem CID 70502560) has the molecular formula C17H14ClF2N3 and a molecular weight of 333.77 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]-2H-triazole.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]-2H-triazole
PubChem CID70502560
Molecular FormulaC17H14ClF2N3
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name4-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]-2H-triazole
SMILESFc1ccc(CC(F)(Cc2cn[nH]n2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14ClF2N3/c18-14-5-3-13(4-6-14)17(20,10-16-11-21-23-22-16)9-12-1-7-15(19)8-2-12/h1-8,11H,9-10H2,(H,21,22,23)
InChIKeyJIMHPUYXWXFKSX-UHFFFAOYSA-N
XLogP4.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]-2H-triazole?
The IUPAC name of 4-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]-2H-triazole (CID 70502560) is 4-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]-2H-triazole.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]-2H-triazole?
The canonical SMILES for 4-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]-2H-triazole is Fc1ccc(CC(F)(Cc2cn[nH]n2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]-2H-triazole?
The InChIKey is JIMHPUYXWXFKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3/c18-14-5-3-13(4-6-14)17(20,10-16-11-21-23-22-16)9-12-1-7-15(19)8-2-12/h1-8,11H,9-10H2,(H,21,22,23).
What are the key properties of 4-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]-2H-triazole?
4-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]-2H-triazole has a molecular weight of 333.77 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-2-fluoro-3-(4-fluorophenyl)propyl]-2H-triazole is sourced from PubChem (CID 70502560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).