2-[(6-ethynylpyridin-3-yl)methyl]-5,5,5-tris(fluoranyl)-2-isocyano-pentanenitrile

Systemtic Name: 2-[(6-ethynylpyridin-3-yl)methyl]-5,5,5-tris(fluoranyl)-2-isocyano-pentanenitrile Openeye Name: 2-[(6-ethynyl-3-pyridyl)methyl]-5,5,5-trifluoro-2-isocyano-pentanenitrile CAS Name: 2-[(6-ethynyl-3-pyridinyl)methyl]-5,5,5-trifluoro-2-isocyanopentanenitrile IUPAC Name: 2-[(6-ethynylpyridin-3-yl)methyl]-5,5,5-trifluoro-2-isocyanopentanenitrile Traditional Name: 2-[(6-ethynyl-3-pyridyl)methyl]-5,5,5-trifluoro-2-isocyano-valeronitrile Formula: C14H10F3N3 MolecularWeight: 277.24451

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=NC=C(C=C1)CC(CCC(F)(F)F)(C#N)[N+]#[C-]

Isomeric SMILES

C#CC1=NC=C(C=C1)CC(CCC(F)(F)F)(C#N)[N+]#[C-]

InChI

InChI=1S/C14H10F3N3/c1-3-12-5-4-11(9-20-12)8-13(10-18,19-2)6-7-14(15,16)17/h1,4-5,9H,6-8H2