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

Systemtic Name: 5,5,5-tris(fluoranyl)-2-[(6-fluoranylpyridin-3-yl)methyl]-2-isocyano-pentanenitrile Openeye Name: 5,5,5-trifluoro-2-[(6-fluoro-3-pyridyl)methyl]-2-isocyano-pentanenitrile CAS Name: 5,5,5-trifluoro-2-[(6-fluoro-3-pyridinyl)methyl]-2-isocyanopentanenitrile IUPAC Name: 5,5,5-trifluoro-2-[(6-fluoropyridin-3-yl)methyl]-2-isocyanopentanenitrile Traditional Name: 5,5,5-trifluoro-2-[(6-fluoro-3-pyridyl)methyl]-2-isocyano-valeronitrile Formula: C12H9F4N3 MolecularWeight: 271.213573

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9F4N3/c1-18-11(8-17,4-5-12(14,15)16)6-9-2-3-10(13)19-7-9/h2-3,7H,4-6H2