methyl (2S)-2-[2,2,2-tris(fluoranyl)ethanoylamino]hex-5-enoate

Systemtic Name: methyl (2S)-2-[2,2,2-tris(fluoranyl)ethanoylamino]hex-5-enoate Openeye Name: methyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]hex-5-enoate CAS Name: (2S)-2-[(2,2,2-trifluoro-1-oxoethyl)amino]-5-hexenoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]hex-5-enoate Traditional Name: (2S)-2-[(2,2,2-trifluoroacetyl)amino]hex-5-enoic acid methyl ester Formula: C9H12F3NO3 MolecularWeight: 239.19169

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC=C)NC(=O)C(F)(F)F

Isomeric SMILES

COC(=O)[C@H](CCC=C)NC(=O)C(F)(F)F

InChI

InChI=1S/C9H12F3NO3/c1-3-4-5-6(7(14)16-2)13-8(15)9(10,11)12/h3,6H,1,4-5H2,2H3,(H,13,15)/t6-/m0/s1