3-Methyl-1-(4-(trifluoromethyl)phenyl)dihydropyrimidine-2,4(1H,3H)-dione

• Catalog: OFC101394187
• CAS: 101394-18-7
• Category: Fluorinated Pyrimidines
• Synonyms: Dihydro-3-methyl-1-(4-(trifluoromethyl)phenyl)-2,4(1H,3H)-pyrimidinedione
• Purity: 97%

• IUPAC Name: 3-methyl-1-[4-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
• InChI: InChI=1S/C12H11F3N2O2/c1-16-10(18)6-7-17(11(16)19)9-4-2-8(3-5-9)12(13,14)15/h2-5H,6-7H2,1H3
• InChI Key: GWSSXUXEFLGFOJ-UHFFFAOYSA-N
• Isomeric SMILES: CN1C(=O)CCN(C1=O)C2=CC=C(C=C2)C(F)(F)F

• Molecular Formula: C12H11F3N2O2
• Molecular Weight: 272.23

• XLogP3-AA: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 272.07726208 g/mol
• Monoisotopic Mass: 272.07726208 g/mol
• Topological Polar Surface Area: 40.6Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 376