(2S)-2-fluoranyl-2-phenyl-2-[(1S)-1,3,3-trimethyl-5-oxidanylidene-cyclohexyl]ethanenitrile

Systemtic Name: (2S)-2-fluoranyl-2-phenyl-2-[(1S)-1,3,3-trimethyl-5-oxidanylidene-cyclohexyl]ethanenitrile Openeye Name: (2S)-2-fluoro-2-phenyl-2-[(1S)-1,3,3-trimethyl-5-oxo-cyclohexyl]acetonitrile CAS Name: (2S)-2-fluoro-2-phenyl-2-[(1S)-1,3,3-trimethyl-5-oxocyclohexyl]acetonitrile IUPAC Name: (2S)-2-fluoro-2-phenyl-2-[(1S)-1,3,3-trimethyl-5-oxocyclohexyl]acetonitrile Traditional Name: (2S)-2-fluoro-2-[(1S)-5-keto-1,3,3-trimethyl-cyclohexyl]-2-phenyl-acetonitrile Formula: C17H20FNO MolecularWeight: 273.345203

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)CC(C1)(C)C(C#N)(C2=CC=CC=C2)F)C

Isomeric SMILES

C[C@]1(CC(=O)CC(C1)(C)C)[C@@](C#N)(C2=CC=CC=C2)F

InChI

InChI=1S/C17H20FNO/c1-15(2)9-14(20)10-16(3,11-15)17(18,12-19)13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3/t16-,17-/m1/s1