4-[5-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]benzenecarbonitrile

Systemtic Name: 4-[5-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]benzenecarbonitrile Openeye Name: 4-[5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-4,5-dihydroisoxazol-3-yl]benzonitrile CAS Name: 4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,5-dihydroisoxazol-3-yl]benzonitrile IUPAC Name: 4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]benzonitrile Traditional Name: 4-[5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-2-isoxazolin-3-yl]benzonitrile Formula: C13H8F6N2O2 MolecularWeight: 338.205239

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CC=C(C=C2)C#N)C(C(F)(F)F)(C(F)(F)F)O

Isomeric SMILES

C1C(ON=C1C2=CC=C(C=C2)C#N)C(C(F)(F)F)(C(F)(F)F)O

InChI

InChI=1S/C13H8F6N2O2/c14-12(15,16)11(22,13(17,18)19)10-5-9(21-23-10)8-3-1-7(6-20)2-4-8/h1-4,10,22H,5H2