1-(2,6-difluorophenyl)-5-(fluoromethyl)-1,2,4-triazole

C9H6F3N3 — CID 54527803

IUPAC1-(2,6-difluorophenyl)-5-(fluoromethyl)-1,2,4-triazole
SMILESFCc1ncnn1-c1c(F)cccc1F
InChIInChI=1S/C9H6F3N3/c10-4-8-13-5-14-15(8)9-6(11)2-1-3-7(9)12/h1-3,5H,4H2
InChIKeyYUILNDCHSLYZBM-UHFFFAOYSA-N
MW213.16 g/mol
LogP2.02
Rot. Bonds2

About 1-(2,6-difluorophenyl)-5-(fluoromethyl)-1,2,4-triazole

1-(2,6-difluorophenyl)-5-(fluoromethyl)-1,2,4-triazole (PubChem CID 54527803) has the molecular formula C9H6F3N3 and a molecular weight of 213.16 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-5-(fluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-5-(fluoromethyl)-1,2,4-triazole
PubChem CID54527803
Molecular FormulaC9H6F3N3
Molecular Weight213.16 g/mol
Exact Mass213.05
IUPAC Name1-(2,6-difluorophenyl)-5-(fluoromethyl)-1,2,4-triazole
SMILESFCc1ncnn1-c1c(F)cccc1F
InChIInChI=1S/C9H6F3N3/c10-4-8-13-5-14-15(8)9-6(11)2-1-3-7(9)12/h1-3,5H,4H2
InChIKeyYUILNDCHSLYZBM-UHFFFAOYSA-N
XLogP2.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-1H-1,2,4-triazole
CID 83432
3-methyl-4-phenyl-4H-1,2,4-triazole
CID 12216908
(1-((1-Phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide
CID 3074553
6,7-Dihydro-2-pentafluorophenyl-5H-pyrrolo[2,1-c]-1,2,4-triazolium tetrafluoroborate
CID 11152694
(4-phenyl-4H-1,2,4-triazol-3-yl)methanamine
CID 24701192
2-(4-phenyl-4H-1,2,4-triazol-3-yl)acetonitrile
CID 4613256
5-Bromo-1-phenyl-1H-1,2,4-triazole
CID 12217067
(1-phenyl-1H-1,2,4-triazol-3-yl)methanol
CID 15707889
[4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methanamine
CID 52416427
3-(2-Methylpropyl)-4-phenyl-1,2,4-triazole
CID 115393287
4-(4-Fluorophenyl)-3-methyl-1,2,4-triazole
CID 137653706
1-(4-Fluorophenyl)-1,2,4-triazole
CID 23469723

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-5-(fluoromethyl)-1,2,4-triazole?
The IUPAC name of 1-(2,6-difluorophenyl)-5-(fluoromethyl)-1,2,4-triazole (CID 54527803) is 1-(2,6-difluorophenyl)-5-(fluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2,6-difluorophenyl)-5-(fluoromethyl)-1,2,4-triazole?
The canonical SMILES for 1-(2,6-difluorophenyl)-5-(fluoromethyl)-1,2,4-triazole is FCc1ncnn1-c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-5-(fluoromethyl)-1,2,4-triazole?
The InChIKey is YUILNDCHSLYZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3/c10-4-8-13-5-14-15(8)9-6(11)2-1-3-7(9)12/h1-3,5H,4H2.
What are the key properties of 1-(2,6-difluorophenyl)-5-(fluoromethyl)-1,2,4-triazole?
1-(2,6-difluorophenyl)-5-(fluoromethyl)-1,2,4-triazole has a molecular weight of 213.16 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-5-(fluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 54527803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).