2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-(trifluoromethyl)benzenecarbonitrile Openeye Name: 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-(trifluoromethyl)benzonitrile CAS Name: 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-(trifluoromethyl)benzonitrile IUPAC Name: 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-(trifluoromethyl)benzonitrile Traditional Name: 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-(trifluoromethyl)benzonitrile Formula: C13H13BF3NO2 MolecularWeight: 283.05403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B1(OCC(CO1)(C)C)C2=C(C=CC=C2C(F)(F)F)C#N

Isomeric SMILES

B1(OCC(CO1)(C)C)C2=C(C=CC=C2C(F)(F)F)C#N

InChI

InChI=1S/C13H13BF3NO2/c1-12(2)7-19-14(20-8-12)11-9(6-18)4-3-5-10(11)13(15,16)17/h3-5H,7-8H2,1-2H3