1,1,3,5,5-pentakis(fluoranyl)-4-methyl-4-oxidanyl-pentan-2-one hydrate

Systemtic Name: 1,1,3,5,5-pentakis(fluoranyl)-4-methyl-4-oxidanyl-pentan-2-one hydrate Openeye Name: 1,1,3,5,5-pentafluoro-4-hydroxy-4-methyl-pentan-2-one hydrate CAS Name: 1,1,3,5,5-pentafluoro-4-hydroxy-4-methyl-2-pentanone hydrate IUPAC Name: 1,1,3,5,5-pentafluoro-4-hydroxy-4-methylpentan-2-one hydrate Traditional Name: 1,1,3,5,5-pentafluoro-4-hydroxy-4-methyl-pentan-2-one hydrate Formula: C6H9F5O3 MolecularWeight: 224.125876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H7F5O2.H2O/c1-6(13,5(10)11)3(7)2(12)4(8)9;/h3-5,13H,1H3;1H2