1-[5-bromanyl-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]adamantane

Systemtic Name: 1-[5-bromanyl-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]adamantane Openeye Name: 1-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]adamantane CAS Name: 1-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]adamantane IUPAC Name: 1-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]adamantane Traditional Name: 1-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]adamantane Formula: C18H20BrF3O MolecularWeight: 389.25001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)Br)OCC(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)Br)OCC(F)(F)F

InChI

InChI=1S/C18H20BrF3O/c19-14-1-2-16(23-10-18(20,21)22)15(6-14)17-7-11-3-12(8-17)5-13(4-11)9-17/h1-2,6,11-13H,3-5,7-10H2