3-(2,6-difluorophenyl)-5-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole

C16H10F5N3 — CID 19847774

IUPAC3-(2,6-difluorophenyl)-5-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESCc1nc(-c2c(F)cccc2F)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C16H10F5N3/c1-9-22-15(14-11(17)6-4-7-12(14)18)23-24(9)13-8-3-2-5-10(13)16(19,20)21/h2-8H,1H3
InChIKeyFYOMAZVKZABROW-UHFFFAOYSA-N
MW339.27 g/mol
LogP4.54
Rot. Bonds2

About 3-(2,6-difluorophenyl)-5-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole

3-(2,6-difluorophenyl)-5-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole (PubChem CID 19847774) has the molecular formula C16H10F5N3 and a molecular weight of 339.27 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-5-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-5-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
PubChem CID19847774
Molecular FormulaC16H10F5N3
Molecular Weight339.27 g/mol
Exact Mass339.08
IUPAC Name3-(2,6-difluorophenyl)-5-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESCc1nc(-c2c(F)cccc2F)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C16H10F5N3/c1-9-22-15(14-11(17)6-4-7-12(14)18)23-24(9)13-8-3-2-5-10(13)16(19,20)21/h2-8H,1H3
InChIKeyFYOMAZVKZABROW-UHFFFAOYSA-N
XLogP4.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-5-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole?
The IUPAC name of 3-(2,6-difluorophenyl)-5-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole (CID 19847774) is 3-(2,6-difluorophenyl)-5-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole.
What is the SMILES notation for 3-(2,6-difluorophenyl)-5-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole?
The canonical SMILES for 3-(2,6-difluorophenyl)-5-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole is Cc1nc(-c2c(F)cccc2F)nn1-c1ccccc1C(F)(F)F.
What is the InChIKey of 3-(2,6-difluorophenyl)-5-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole?
The InChIKey is FYOMAZVKZABROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F5N3/c1-9-22-15(14-11(17)6-4-7-12(14)18)23-24(9)13-8-3-2-5-10(13)16(19,20)21/h2-8H,1H3.
What are the key properties of 3-(2,6-difluorophenyl)-5-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole?
3-(2,6-difluorophenyl)-5-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole has a molecular weight of 339.27 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-5-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole is sourced from PubChem (CID 19847774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).