4-[2,2,2-tris(fluoranyl)ethyl]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-[2,2,2-tris(fluoranyl)ethyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 4-(2,2,2-trifluoroethyl)thiazole-5-carboxylic acid CAS Name: 4-(2,2,2-trifluoroethyl)-5-thiazolecarboxylic acid IUPAC Name: 4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid Traditional Name: 4-(2,2,2-trifluoroethyl)thiazole-5-carboxylic acid Formula: C6H4F3NO2S MolecularWeight: 211.16167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=C(S1)C(=O)O)CC(F)(F)F

Isomeric SMILES

C1=NC(=C(S1)C(=O)O)CC(F)(F)F

InChI

InChI=1S/C6H4F3NO2S/c7-6(8,9)1-3-4(5(11)12)13-2-10-3/h2H,1H2,(H,11,12)