1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole;4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile;1-[2-(2,4-dichlorophenyl)-3-(fluoromethoxy)propyl]-1,2,4-triazole;fluoroform

C49H43Cl4F5N10O2 — CID 158122163

About 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole;4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile;1-[2-(2,4-dichlorophenyl)-3-(fluoromethoxy)propyl]-1,2,4-triazole;fluoroform

1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole;4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile;1-[2-(2,4-dichlorophenyl)-3-(fluoromethoxy)propyl]-1,2,4-triazole;fluoroform (PubChem CID 158122163) has the molecular formula C49H43Cl4F5N10O2 and a molecular weight of 1040.75 g/mol. Its IUPAC name is 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole;4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile;1-[2-(2,4-dichlorophenyl)-3-(fluoromethoxy)propyl]-1,2,4-triazole;fluoroform.

Molecular Properties

• Compound Name: 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole;4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile;1-[2-(2,4-dichlorophenyl)-3-(fluoromethoxy)propyl]-1,2,4-triazole;fluoroform
• PubChem CID: 158122163
• Molecular Formula: C49H43Cl4F5N10O2
• Molecular Weight: 1040.75 g/mol
• Exact Mass: 1038.22
• IUPAC Name: 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole;4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile;1-[2-(2,4-dichlorophenyl)-3-(fluoromethoxy)propyl]-1,2,4-triazole;fluoroform
• SMILES: FC(F)F.FCOCC(Cn1cncn1)c1ccc(Cl)cc1Cl.Fc1ccc(C2(Cn3cncn3)OC2c2ccccc2Cl)cc1.N#CC(CCc1ccc(Cl)cc1)(Cn1cncn1)c1ccccc1
• InChI: InChI=1S/C19H17ClN4.C17H13ClFN3O.C12H12Cl2FN3O.CHF3/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17;18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12;13-10-1-2-11(12(14)3-10)9(5-19-6-15)4-18-8-16-7-17-18;2-1(3)4/h1-9,14-15H,10-11,13H2;1-8,10-11,16H,9H2;1-3,7-9H,4-6H2;1H
• InChIKey: FRSVGIDYNFKSPD-UHFFFAOYSA-N
• XLogP: 12.25
• TPSA: 137.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1040.75
LogP ≤ 5	12.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole;4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile;1-[2-(2,4-dichlorophenyl)-3-(fluoromethoxy)propyl]-1,2,4-triazole;fluoroform?

The IUPAC name of 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole;4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile;1-[2-(2,4-dichlorophenyl)-3-(fluoromethoxy)propyl]-1,2,4-triazole;fluoroform (CID 158122163) is 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole;4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile;1-[2-(2,4-dichlorophenyl)-3-(fluoromethoxy)propyl]-1,2,4-triazole;fluoroform.

What is the SMILES notation for 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole;4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile;1-[2-(2,4-dichlorophenyl)-3-(fluoromethoxy)propyl]-1,2,4-triazole;fluoroform?

The canonical SMILES for 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole;4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile;1-[2-(2,4-dichlorophenyl)-3-(fluoromethoxy)propyl]-1,2,4-triazole;fluoroform is FC(F)F.FCOCC(Cn1cncn1)c1ccc(Cl)cc1Cl.Fc1ccc(C2(Cn3cncn3)OC2c2ccccc2Cl)cc1.N#CC(CCc1ccc(Cl)cc1)(Cn1cncn1)c1ccccc1.

What is the InChIKey of 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole;4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile;1-[2-(2,4-dichlorophenyl)-3-(fluoromethoxy)propyl]-1,2,4-triazole;fluoroform?

The InChIKey is FRSVGIDYNFKSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4.C17H13ClFN3O.C12H12Cl2FN3O.CHF3/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17;18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12;13-10-1-2-11(12(14)3-10)9(5-19-6-15)4-18-8-16-7-17-18;2-1(3)4/h1-9,14-15H,10-11,13H2;1-8,10-11,16H,9H2;1-3,7-9H,4-6H2;1H.

What are the key properties of 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole;4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile;1-[2-(2,4-dichlorophenyl)-3-(fluoromethoxy)propyl]-1,2,4-triazole;fluoroform?

1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole;4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile;1-[2-(2,4-dichlorophenyl)-3-(fluoromethoxy)propyl]-1,2,4-triazole;fluoroform has a molecular weight of 1040.75 g/mol, XLogP of 12.25, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole;4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile;1-[2-(2,4-dichlorophenyl)-3-(fluoromethoxy)propyl]-1,2,4-triazole;fluoroform is sourced from PubChem (CID 158122163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).