ethyl 1-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]piperidine-2-carboxylate

Systemtic Name: ethyl 1-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]piperidine-2-carboxylate Openeye Name: ethyl 1-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]piperidine-2-carboxylate CAS Name: 1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]piperidine-2-carboxylate Traditional Name: 1-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]pipecolinic acid ethyl ester Formula: C17H19F6NO3 MolecularWeight: 399.328079

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)C1CCCCN1C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O

InChI

InChI=1S/C17H19F6NO3/c1-2-27-14(25)13-5-3-4-10-24(13)12-8-6-11(7-9-12)15(26,16(18,19)20)17(21,22)23/h6-9,13,26H,2-5,10H2,1H3