3-(2-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazole

C16H12ClF2N3O — CID 11616978

IUPAC3-(2-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazole
SMILESCn1c(-c2ccccc2Cl)nnc1-c1ccccc1OC(F)F
InChIInChI=1S/C16H12ClF2N3O/c1-22-14(10-6-2-4-8-12(10)17)20-21-15(22)11-7-3-5-9-13(11)23-16(18)19/h2-9,16H,1H3
InChIKeyDXLHUUFDOYASHY-UHFFFAOYSA-N
MW335.74 g/mol
LogP4.40
Rot. Bonds4

About 3-(2-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazole

3-(2-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazole (PubChem CID 11616978) has the molecular formula C16H12ClF2N3O and a molecular weight of 335.74 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazole
PubChem CID11616978
Molecular FormulaC16H12ClF2N3O
Molecular Weight335.74 g/mol
Exact Mass335.06
IUPAC Name3-(2-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazole
SMILESCn1c(-c2ccccc2Cl)nnc1-c1ccccc1OC(F)F
InChIInChI=1S/C16H12ClF2N3O/c1-22-14(10-6-2-4-8-12(10)17)20-21-15(22)11-7-3-5-9-13(11)23-16(18)19/h2-9,16H,1H3
InChIKeyDXLHUUFDOYASHY-UHFFFAOYSA-N
XLogP4.40
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.74
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazole?
The IUPAC name of 3-(2-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazole (CID 11616978) is 3-(2-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazole is Cn1c(-c2ccccc2Cl)nnc1-c1ccccc1OC(F)F.
What is the InChIKey of 3-(2-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazole?
The InChIKey is DXLHUUFDOYASHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O/c1-22-14(10-6-2-4-8-12(10)17)20-21-15(22)11-7-3-5-9-13(11)23-16(18)19/h2-9,16H,1H3.
What are the key properties of 3-(2-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazole?
3-(2-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazole has a molecular weight of 335.74 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-[2-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazole is sourced from PubChem (CID 11616978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).