2-pyridin-2-ylethoxy-bis[3-(trifluoromethyl)phenyl]borane

Systemtic Name: 2-pyridin-2-ylethoxy-bis[3-(trifluoromethyl)phenyl]borane Openeye Name: 2-(2-pyridyl)ethoxy-bis[3-(trifluoromethyl)phenyl]borane CAS Name: 2-(2-pyridinyl)ethoxy-bis[3-(trifluoromethyl)phenyl]borane IUPAC Name: 2-pyridin-2-ylethoxy-bis[3-(trifluoromethyl)phenyl]borane Traditional Name: 2-(2-pyridyl)ethoxy-bis[3-(trifluoromethyl)phenyl]borane Formula: C21H16BF6NO MolecularWeight: 423.159259

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC=C1)C(F)(F)F)(C2=CC(=CC=C2)C(F)(F)F)OCCC3=CC=CC=N3

Isomeric SMILES

B(C1=CC(=CC=C1)C(F)(F)F)(C2=CC(=CC=C2)C(F)(F)F)OCCC3=CC=CC=N3

InChI

InChI=1S/C21H16BF6NO/c23-20(24,25)15-5-3-7-17(13-15)22(30-12-10-19-9-1-2-11-29-19)18-8-4-6-16(14-18)21(26,27)28/h1-9,11,13-14H,10,12H2