4-butan-2-yl-2,2-bis(fluoranyl)-3-(phenylmethyl)-1,3,2-oxazaborolidin-2-ium-5-one

Systemtic Name: 4-butan-2-yl-2,2-bis(fluoranyl)-3-(phenylmethyl)-1,3,2-oxazaborolidin-2-ium-5-one Openeye Name: 3-benzyl-2,2-difluoro-4-sec-butyl-1,3,2-oxazaborolidin-2-ium-5-one CAS Name: 4-butan-2-yl-2,2-difluoro-3-(phenylmethyl)-1,3,2-oxazaborolidin-2-ium-5-one IUPAC Name: 3-benzyl-4-butan-2-yl-2,2-difluoro-1,3,2-oxazaborolidin-2-ium-5-one Traditional Name: 3-benzyl-2,2-difluoro-4-sec-butyl-1,3,2-oxazaborolidin-2-ium-5-one Formula: C13H17BF2NO2+ MolecularWeight: 268.087386

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Descriptors Computed from Structure

Canonical SMILES:

[B+]1(N(C(C(=O)O1)C(C)CC)CC2=CC=CC=C2)(F)F

Isomeric SMILES

[B+]1(N(C(C(=O)O1)C(C)CC)CC2=CC=CC=C2)(F)F

InChI

InChI=1S/C13H17BF2NO2/c1-3-10(2)12-13(18)19-14(15,16)17(12)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3/q+1