3-(4-Fluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione

• Catalog: OFC50844605
• CAS: 50844-60-5
• Category: Fluorinated Pyrimidines
• Purity: 97%

• IUPAC Name: 3-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
• InChI: InChI=1S/C11H6F4N2O2/c12-6-1-3-7(4-2-6)17-9(18)5-8(11(13,14)15)16-10(17)19/h1-5H,(H,16,19)
• InChI Key: PUPSXWMPMPUFLF-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=CC=C1N2C(=O)C=C(NC2=O)C(F)(F)F)F

• Molecular Formula: C11H6F4N2O2
• Molecular Weight: 274.17

• XLogP3-AA: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 274.03654009 g/mol
• Monoisotopic Mass: 274.03654009 g/mol
• Topological Polar Surface Area: 49.4Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 425