5,5,5-tris(fluoranyl)-2-isocyano-2-(pyridin-4-ylmethyl)pentanenitrile

Systemtic Name: 5,5,5-tris(fluoranyl)-2-isocyano-2-(pyridin-4-ylmethyl)pentanenitrile Openeye Name: 5,5,5-trifluoro-2-isocyano-2-(4-pyridylmethyl)pentanenitrile CAS Name: 5,5,5-trifluoro-2-isocyano-2-(pyridin-4-ylmethyl)pentanenitrile IUPAC Name: 5,5,5-trifluoro-2-isocyano-2-(pyridin-4-ylmethyl)pentanenitrile Traditional Name: 5,5,5-trifluoro-2-isocyano-2-(4-pyridylmethyl)valeronitrile Formula: C12H10F3N3 MolecularWeight: 253.22311

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10F3N3/c1-17-11(9-16,4-5-12(13,14)15)8-10-2-6-18-7-3-10/h2-3,6-7H,4-5,8H2