(2S)-2-(3-oxidanylpropylamino)-2-[2-(trifluoromethyl)phenyl]ethanenitrile

Systemtic Name: (2S)-2-(3-oxidanylpropylamino)-2-[2-(trifluoromethyl)phenyl]ethanenitrile Openeye Name: (2S)-2-(3-hydroxypropylamino)-2-[2-(trifluoromethyl)phenyl]acetonitrile CAS Name: (2S)-2-(3-hydroxypropylamino)-2-[2-(trifluoromethyl)phenyl]acetonitrile IUPAC Name: (2S)-2-(3-hydroxypropylamino)-2-[2-(trifluoromethyl)phenyl]acetonitrile Traditional Name: (2S)-2-(3-hydroxypropylamino)-2-[2-(trifluoromethyl)phenyl]acetonitrile Formula: C12H13F3N2O MolecularWeight: 258.23963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C#N)NCCCO)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)[C@@H](C#N)NCCCO)C(F)(F)F

InChI

InChI=1S/C12H13F3N2O/c13-12(14,15)10-5-2-1-4-9(10)11(8-16)17-6-3-7-18/h1-2,4-5,11,17-18H,3,6-7H2/t11-/m1/s1