5,5-Dimethyl-3-hydroxy-3-(trifluoromethyl)dihydrofuran-2(3h)-one

• Catalog: OFC126953886
• CAS: 126953-88-6
• Category: Fluorinated Lactones
• Synonyms: 3-Hydroxy-5,5-dimethyl-3-(trifluoromethyl)oxolan-2-one
• Purity: 97%
• MDL Number: MFCD10567187

• IUPAC Name: 3-hydroxy-5,5-dimethyl-3-(trifluoromethyl)oxolan-2-one
• InChI: InChI=1S/C7H9F3O3/c1-5(2)3-6(12,4(11)13-5)7(8,9)10/h12H,3H2,1-2H3
• InChI Key: MLXTZSCAFBJBMG-UHFFFAOYSA-N
• Isomeric SMILES: CC1(CC(C(=O)O1)(C(F)(F)F)O)C

• Molecular Formula: C7H9F3O3
• Molecular Weight: 198.14

• XLogP3-AA: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 198.05037863 g/mol
• Monoisotopic Mass: 198.05037863 g/mol
• Topological Polar Surface Area: 46.5Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 246