3-(phenylsulfanylmethyl)pyrrolidine; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-(phenylsulfanylmethyl)pyrrolidine; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-(phenylsulfanylmethyl)pyrrolidine; 2,2,2-trifluoroacetic acid CAS Name: 3-[(phenylthio)methyl]pyrrolidine; 2,2,2-trifluoroacetic acid IUPAC Name: 3-(phenylsulfanylmethyl)pyrrolidine; 2,2,2-trifluoroacetic acid Traditional Name: 3-[(phenylthio)methyl]pyrrolidine; 2,2,2-trifluoroacetic acid Formula: C13H16F3NO2S MolecularWeight: 307.33185

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1CSC2=CC=CC=C2.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CNCC1CSC2=CC=CC=C2.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C11H15NS.C2HF3O2/c1-2-4-11(5-3-1)13-9-10-6-7-12-8-10;3-2(4,5)1(6)7/h1-5,10,12H,6-9H2;(H,6,7)