(2S)-2-[3-(trifluoromethyl)phenyl]azepane

Systemtic Name: (2S)-2-[3-(trifluoromethyl)phenyl]azepane Openeye Name: (2S)-2-[3-(trifluoromethyl)phenyl]azepane CAS Name: (2S)-2-[3-(trifluoromethyl)phenyl]azepane IUPAC Name: (2S)-2-[3-(trifluoromethyl)phenyl]azepane Traditional Name: (2S)-2-[3-(trifluoromethyl)phenyl]azepane Formula: C13H16F3N MolecularWeight: 243.26805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(NCC1)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C1CC[C@H](NCC1)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C13H16F3N/c14-13(15,16)11-6-4-5-10(9-11)12-7-2-1-3-8-17-12/h4-6,9,12,17H,1-3,7-8H2/t12-/m0/s1