[(2S)-4-cyclohexyl-1,1,1-tris(fluoranyl)but-3-yn-2-yl] butanoate

Systemtic Name: [(2S)-4-cyclohexyl-1,1,1-tris(fluoranyl)but-3-yn-2-yl] butanoate Openeye Name: [(1S)-3-cyclohexyl-1-(trifluoromethyl)prop-2-ynyl] butanoate CAS Name: butanoic acid [(2S)-4-cyclohexyl-1,1,1-trifluorobut-3-yn-2-yl] ester IUPAC Name: [(2S)-4-cyclohexyl-1,1,1-trifluorobut-3-yn-2-yl] butanoate Traditional Name: butyric acid [(1S)-3-cyclohexyl-1-(trifluoromethyl)prop-2-ynyl] ester Formula: C14H19F3O2 MolecularWeight: 276.29467

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C#CC1CCCCC1)C(F)(F)F

Isomeric SMILES

CCCC(=O)O[C@@H](C#CC1CCCCC1)C(F)(F)F

InChI

InChI=1S/C14H19F3O2/c1-2-6-13(18)19-12(14(15,16)17)10-9-11-7-4-3-5-8-11/h11-12H,2-8H2,1H3/t12-/m0/s1