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

• Catalog: OFC139547129
• CAS: 139547-12-9
• Category: Fluorinated Lactones
• Synonyms: 5-Methyl-3-(trifluoromethyl)oxolan-2-one
• MDL Number: MFCD00798460

• IUPAC Name: 5-methyl-3-(trifluoromethyl)oxolan-2-one
• InChI: InChI=1S/C6H7F3O2/c1-3-2-4(5(10)11-3)6(7,8)9/h3-4H,2H2,1H3
• InChI Key: QYTOOVCITOVYEL-UHFFFAOYSA-N
• Isomeric SMILES: CC1CC(C(=O)O1)C(F)(F)F
• EC Number: 630-789-2

• Molecular Formula: C6H7F3O2
• Molecular Weight: 168.11

• XLogP3-AA: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 168.03981395 g/mol
• Monoisotopic Mass: 168.03981395 g/mol
• Topological Polar Surface Area: 26.3Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 175