1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl pyridine-3-carboxylate

Systemtic Name: 1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl pyridine-3-carboxylate Openeye Name: [2,2,2-trifluoro-1-(trifluoromethyl)ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 1,1,1,3,3,3-hexafluoropropan-2-yl ester IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yl pyridine-3-carboxylate Traditional Name: nicotinic acid [2,2,2-trifluoro-1-(trifluoromethyl)ethyl] ester Formula: C9H5F6NO2 MolecularWeight: 273.131919

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OC(C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OC(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C9H5F6NO2/c10-8(11,12)7(9(13,14)15)18-6(17)5-2-1-3-16-4-5/h1-4,7H