4-[3-(trifluoromethyl)phenyl]oxane-4-carbonitrile

Systemtic Name: 4-[3-(trifluoromethyl)phenyl]oxane-4-carbonitrile Openeye Name: 4-[3-(trifluoromethyl)phenyl]tetrahydropyran-4-carbonitrile CAS Name: 4-[3-(trifluoromethyl)phenyl]-4-oxanecarbonitrile IUPAC Name: 4-[3-(trifluoromethyl)phenyl]oxane-4-carbonitrile Traditional Name: 4-[3-(trifluoromethyl)phenyl]tetrahydropyran-4-carbonitrile Formula: C13H12F3NO MolecularWeight: 255.23569

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C#N)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C1COCCC1(C#N)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C13H12F3NO/c14-13(15,16)11-3-1-2-10(8-11)12(9-17)4-6-18-7-5-12/h1-3,8H,4-7H2