4,4,4-tris(fluoranyl)butan-2-yl 2-methylbutanoate

Systemtic Name: 4,4,4-tris(fluoranyl)butan-2-yl 2-methylbutanoate Openeye Name: (3,3,3-trifluoro-1-methyl-propyl) 2-methylbutanoate CAS Name: 2-methylbutanoic acid 4,4,4-trifluorobutan-2-yl ester IUPAC Name: 4,4,4-trifluorobutan-2-yl 2-methylbutanoate Traditional Name: 2-methylbutyric acid (3,3,3-trifluoro-1-methyl-propyl) ester Formula: C9H15F3O2 MolecularWeight: 212.20941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15F3O2/c1-4-6(2)8(13)14-7(3)5-9(10,11)12/h6-7H,4-5H2,1-3H3