[1,1,1-tris(fluoranyl)-4-methyl-pentan-2-yl] octanoate

Systemtic Name: [1,1,1-tris(fluoranyl)-4-methyl-pentan-2-yl] octanoate Openeye Name: [3-methyl-1-(trifluoromethyl)butyl] octanoate CAS Name: octanoic acid (1,1,1-trifluoro-4-methylpentan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-4-methylpentan-2-yl) octanoate Traditional Name: caprylic acid [3-methyl-1-(trifluoromethyl)butyl] ester Formula: C14H25F3O2 MolecularWeight: 282.34231

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(CC(C)C)C(F)(F)F

Isomeric SMILES

CCCCCCCC(=O)OC(CC(C)C)C(F)(F)F

InChI

InChI=1S/C14H25F3O2/c1-4-5-6-7-8-9-13(18)19-12(10-11(2)3)14(15,16)17/h11-12H,4-10H2,1-3H3