3-[(5S)-3-tert-butyl-5-[1,1,2,2,3,3,3-heptakis(fluoranyl)propyl]-5-oxidanyl-4H-pyrazol-1-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[(5S)-3-tert-butyl-5-[1,1,2,2,3,3,3-heptakis(fluoranyl)propyl]-5-oxidanyl-4H-pyrazol-1-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[(5S)-3-tert-butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-5-hydroxy-4H-pyrazol-1-yl]-3-oxo-propanenitrile CAS Name: 3-[(5S)-3-tert-butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-5-hydroxy-4H-pyrazol-1-yl]-3-oxopropanenitrile IUPAC Name: 3-[(5S)-3-tert-butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-5-hydroxy-4H-pyrazol-1-yl]-3-oxopropanenitrile Traditional Name: 3-[(5S)-3-tert-butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-5-hydroxy-2-pyrazolin-1-yl]-3-keto-propionitrile Formula: C13H14F7N3O2 MolecularWeight: 377.257982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(C1)(C(C(C(F)(F)F)(F)F)(F)F)O)C(=O)CC#N

Isomeric SMILES

CC(C)(C)C1=NN([C@](C1)(C(C(C(F)(F)F)(F)F)(F)F)O)C(=O)CC#N

InChI

InChI=1S/C13H14F7N3O2/c1-9(2,3)7-6-10(25,23(22-7)8(24)4-5-21)11(14,15)12(16,17)13(18,19)20/h25H,4,6H2,1-3H3/t10-/m0/s1