1-(2-{[4-(Trifluoromethyl)pyrimidin-2-yl]oxy}phenyl)ethanone

• Catalog: OFC874782044
• CAS: 874782-04-4
• Category: Fluorinated Pyrimidines
• MDL Number: MFCD00115019

• IUPAC Name: 1-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]ethanone
• InChI: InChI=1S/C13H9F3N2O2/c1-8(19)9-4-2-3-5-10(9)20-12-17-7-6-11(18-12)13(14,15)16/h2-7H,1H3
• InChI Key: RVMDXFLBDWZKTI-UHFFFAOYSA-N
• Isomeric SMILES: CC(=O)C1=CC=CC=C1OC2=NC=CC(=N2)C(F)(F)F

• Molecular Formula: C13H9F3N2O2
• Molecular Weight: 282.22

• XLogP3-AA: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 282.06161202 g/mol
• Monoisotopic Mass: 282.06161202 g/mol
• Topological Polar Surface Area: 52.1Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 349