3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole

C4H2F3N3 — CID 22956415

IUPAC3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole
SMILESFC(F)=Cc1n[nH]c(F)n1
InChIInChI=1S/C4H2F3N3/c5-2(6)1-3-8-4(7)10-9-3/h1H,(H,8,9,10)
InChIKeyLTYSLLKURDNJFT-UHFFFAOYSA-N
MW149.08 g/mol
LogP1.18
Rot. Bonds1

About 3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole

3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole (PubChem CID 22956415) has the molecular formula C4H2F3N3 and a molecular weight of 149.08 g/mol. Its IUPAC name is 3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole
PubChem CID22956415
Molecular FormulaC4H2F3N3
Molecular Weight149.08 g/mol
Exact Mass149.02
IUPAC Name3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole
SMILESFC(F)=Cc1n[nH]c(F)n1
InChIInChI=1S/C4H2F3N3/c5-2(6)1-3-8-4(7)10-9-3/h1H,(H,8,9,10)
InChIKeyLTYSLLKURDNJFT-UHFFFAOYSA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.08
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-fluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 20684992
5-(2,2-difluoroethenyl)-3-(1-fluoroethenyl)-1H-1,2,4-triazole
CID 20684993
5-(2,2-difluoroethenyl)-3-(1-fluoroethenoxy)-1H-1,2,4-triazole
CID 21134653
3-(1,2,2-trifluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 59878504
5-(2,2-difluoroethenyl)-3-(1,2,2-trifluoroethenyl)-1H-1,2,4-triazole
CID 59878505
3,5-bis(1,2,2-trifluoroethenyl)-1H-1,2,4-triazole
CID 89333930
ethene;3-fluoro-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 90743890
3-(1-fluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole;hydrate
CID 161144865
(Z)-3-[5-(trifluoromethyl)-4H-[1,2,4]triazol-3-yl]-acrylonitrile
CID 24975675
3-ethenyl-5-methyl-1H-1,2,4-triazole
CID 58904785
3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole;ethenone
CID 90768620
3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole;ethene
CID 90807730

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole?
The IUPAC name of 3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole (CID 22956415) is 3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole.
What is the SMILES notation for 3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole?
The canonical SMILES for 3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole is FC(F)=Cc1n[nH]c(F)n1.
What is the InChIKey of 3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole?
The InChIKey is LTYSLLKURDNJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3N3/c5-2(6)1-3-8-4(7)10-9-3/h1H,(H,8,9,10).
What are the key properties of 3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole?
3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole has a molecular weight of 149.08 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole is sourced from PubChem (CID 22956415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).