(3R,5S)-4-[3-(trifluoromethyl)phenyl]adamantan-1-ol

Systemtic Name: (3R,5S)-4-[3-(trifluoromethyl)phenyl]adamantan-1-ol Openeye Name: (3R,5S)-4-[3-(trifluoromethyl)phenyl]adamantan-1-ol CAS Name: (3R,5S)-4-[3-(trifluoromethyl)phenyl]-1-adamantanol IUPAC Name: (3R,5S)-4-[3-(trifluoromethyl)phenyl]adamantan-1-ol Traditional Name: (3R,5S)-4-[3-(trifluoromethyl)phenyl]adamantan-1-ol Formula: C17H19F3O MolecularWeight: 296.32737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3C4=CC(=CC=C4)C(F)(F)F)O

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H](C2C4=CC(=CC=C4)C(F)(F)F)CC1C3)O

InChI

InChI=1S/C17H19F3O/c18-17(19,20)14-3-1-2-11(6-14)15-12-4-10-5-13(15)9-16(21,7-10)8-12/h1-3,6,10,12-13,15,21H,4-5,7-9H2/t10?,12-,13+,15?,16?