ethanoic acid; 3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-propanenitrile

Systemtic Name: ethanoic acid; 3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-propanenitrile Openeye Name: acetic acid; 3,3,3-trifluoro-2-hydroxy-2-methyl-propanenitrile CAS Name: acetic acid; 3,3,3-trifluoro-2-hydroxy-2-methylpropanenitrile IUPAC Name: acetic acid; 3,3,3-trifluoro-2-hydroxy-2-methylpropanenitrile Traditional Name: acetic acid; 3,3,3-trifluoro-2-hydroxy-2-methyl-propionitrile Formula: C6H8F3NO3 MolecularWeight: 199.12783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(C#N)(C(F)(F)F)O

Isomeric SMILES

CC(=O)O.CC(C#N)(C(F)(F)F)O

InChI

InChI=1S/C4H4F3NO.C2H4O2/c1-3(9,2-8)4(5,6)7;1-2(3)4/h9H,1H3;1H3,(H,3,4)