3-thiophen-2-yl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole

C8H6F3N3S — CID 62734704

IUPAC3-thiophen-2-yl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)Cc1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C8H6F3N3S/c9-8(10,11)4-6-12-7(14-13-6)5-2-1-3-15-5/h1-3H,4H2,(H,12,13,14)
InChIKeyHOFOJGCXSZELTC-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.64
Rot. Bonds2

About 3-thiophen-2-yl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole

3-thiophen-2-yl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole (PubChem CID 62734704) has the molecular formula C8H6F3N3S and a molecular weight of 233.22 g/mol. Its IUPAC name is 3-thiophen-2-yl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-thiophen-2-yl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
PubChem CID62734704
Molecular FormulaC8H6F3N3S
Molecular Weight233.22 g/mol
Exact Mass233.02
IUPAC Name3-thiophen-2-yl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)Cc1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C8H6F3N3S/c9-8(10,11)4-6-12-7(14-13-6)5-2-1-3-15-5/h1-3H,4H2,(H,12,13,14)
InChIKeyHOFOJGCXSZELTC-UHFFFAOYSA-N
XLogP2.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-thiophen-2-yl-5-(2,2,2-trifluoroethyl)-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

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole?
The IUPAC name of 3-thiophen-2-yl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole (CID 62734704) is 3-thiophen-2-yl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-thiophen-2-yl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-thiophen-2-yl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole is FC(F)(F)Cc1nc(-c2cccs2)n[nH]1.
What is the InChIKey of 3-thiophen-2-yl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole?
The InChIKey is HOFOJGCXSZELTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3S/c9-8(10,11)4-6-12-7(14-13-6)5-2-1-3-15-5/h1-3H,4H2,(H,12,13,14).
What are the key properties of 3-thiophen-2-yl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole?
3-thiophen-2-yl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole has a molecular weight of 233.22 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 62734704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).