Gamma-phenyl-alpha-(trifluoromethyl)-gamma-butyrolactone

• Catalog: OFC241819523
• CAS: 241819-52-3
• Category: Fluorinated Lactones
• Synonyms: 5-Phenyl-3-(trifluoromethyl)dihydrofuran-2(3H)-one
• MDL Number: MFCD00798461

• IUPAC Name: 5-phenyl-3-(trifluoromethyl)oxolan-2-one
• InChI: InChI=1S/C11H9F3O2/c12-11(13,14)8-6-9(16-10(8)15)7-4-2-1-3-5-7/h1-5,8-9H,6H2
• InChI Key: VMFJOFAAYDXZBX-UHFFFAOYSA-N
• Isomeric SMILES: C1C(C(=O)OC1C2=CC=CC=C2)C(F)(F)F

• Molecular Formula: C11H9F3O2
• Molecular Weight: 230.18

• XLogP3-AA: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 230.05546401 g/mol
• Monoisotopic Mass: 230.05546401 g/mol
• Topological Polar Surface Area: 26.3Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 269