2-(3,3-dimethylbut-1-ynyl)-4-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 2-(3,3-dimethylbut-1-ynyl)-4-(trifluoromethyl)benzenecarbonitrile Openeye Name: 2-(3,3-dimethylbut-1-ynyl)-4-(trifluoromethyl)benzonitrile CAS Name: 2-(3,3-dimethylbut-1-ynyl)-4-(trifluoromethyl)benzonitrile IUPAC Name: 2-(3,3-dimethylbut-1-ynyl)-4-(trifluoromethyl)benzonitrile Traditional Name: 2-(3,3-dimethylbut-1-ynyl)-4-(trifluoromethyl)benzonitrile Formula: C14H12F3N MolecularWeight: 251.24699

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=C(C=CC(=C1)C(F)(F)F)C#N

Isomeric SMILES

CC(C)(C)C#CC1=C(C=CC(=C1)C(F)(F)F)C#N

InChI

InChI=1S/C14H12F3N/c1-13(2,3)7-6-10-8-12(14(15,16)17)5-4-11(10)9-18/h4-5,8H,1-3H3