3-(1-fluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole

C5H3F4N3 — CID 20684992

IUPAC3-(1-fluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
SMILESC=C(F)c1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C5H3F4N3/c1-2(6)3-10-4(12-11-3)5(7,8)9/h1H2,(H,10,11,12)
InChIKeyUNXKIYJFHFQONJ-UHFFFAOYSA-N
MW181.09 g/mol
LogP1.76
Rot. Bonds1

About 3-(1-fluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole

3-(1-fluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole (PubChem CID 20684992) has the molecular formula C5H3F4N3 and a molecular weight of 181.09 g/mol. Its IUPAC name is 3-(1-fluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(1-fluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
PubChem CID20684992
Molecular FormulaC5H3F4N3
Molecular Weight181.09 g/mol
Exact Mass181.03
IUPAC Name3-(1-fluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
SMILESC=C(F)c1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C5H3F4N3/c1-2(6)3-10-4(12-11-3)5(7,8)9/h1H2,(H,10,11,12)
InChIKeyUNXKIYJFHFQONJ-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.09
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1-fluoroethenyl)-5-(trifluoromethyl)-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

3,5-bis(trifluoromethyl)-1H-1,2,4-triazole
CID 14688516
5-(2,2-difluoroethenyl)-3-(1-fluoroethenyl)-1H-1,2,4-triazole
CID 20684993
3-(1-fluoroethenoxy)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 20760655
3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole
CID 22956415
3-fluoro-5-(1,1,2-trifluoroethyl)-1H-1,2,4-triazole
CID 58361882
3-fluoro-5-(1,1,2,2,3-pentafluoropropyl)-1H-1,2,4-triazole
CID 58361917
3-(1,1,2,2-tetrafluoroethyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 58370464
3,5-bis(1,1,2,2-tetrafluoroethyl)-1H-1,2,4-triazole
CID 58370560
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
5-(difluoromethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 68429696
3-pentafluoroethyl-5-trifluoromethyl-1H-(1,2,4)-triazole
CID 86076311

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
The IUPAC name of 3-(1-fluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole (CID 20684992) is 3-(1-fluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-(1-fluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-(1-fluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole is C=C(F)c1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 3-(1-fluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
The InChIKey is UNXKIYJFHFQONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F4N3/c1-2(6)3-10-4(12-11-3)5(7,8)9/h1H2,(H,10,11,12).
What are the key properties of 3-(1-fluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
3-(1-fluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole has a molecular weight of 181.09 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 20684992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).