1-(3-{[4-(Trifluoromethyl)pyrimidin-2-yl]oxy}phenyl)ethanone

• Catalog: OFC1227954393
• CAS: 1227954-39-3
• Category: Fluorinated Pyrimidines
• MDL Number: MFCD11846259

• IUPAC Name: 1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]ethanone
• InChI: InChI=1S/C13H9F3N2O2/c1-8(19)9-3-2-4-10(7-9)20-12-17-6-5-11(18-12)13(14,15)16/h2-7H,1H3
• InChI Key: CTBXJARWXOJIGV-UHFFFAOYSA-N
• Isomeric SMILES: CC(=O)C1=CC(=CC=C1)OC2=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