1-[[4-(trifluoromethyloxy)phenyl]methyl]piperidin-4-amine; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 1-[[4-(trifluoromethyloxy)phenyl]methyl]piperidin-4-amine; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2,2,2-trifluoroacetic acid; 1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine CAS Name: 2,2,2-trifluoroacetic acid; 1-[[4-(trifluoromethoxy)phenyl]methyl]-4-piperidinamine IUPAC Name: 2,2,2-trifluoroacetic acid; 1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine Traditional Name: 2,2,2-trifluoroacetic acid; [1-[4-(trifluoromethoxy)benzyl]-4-piperidyl]amine Formula: C15H18F6N2O3 MolecularWeight: 388.305439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N)CC2=CC=C(C=C2)OC(F)(F)F.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CN(CCC1N)CC2=CC=C(C=C2)OC(F)(F)F.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C13H17F3N2O.C2HF3O2/c14-13(15,16)19-12-3-1-10(2-4-12)9-18-7-5-11(17)6-8-18;3-2(4,5)1(6)7/h1-4,11H,5-9,17H2;(H,6,7)