4-[3-(Trifluoromethyl)phenyl]pyrimidin-2-amine

• Catalog: OFC866019763
• CAS: 866019-76-3
• Category: Fluorinated Pyrimidines
• Synonyms: 4-[3-(trifluoromethyl)phenyl]-2-pyrimidinylamine
• Purity: tech
• MDL Number: MFCD03407835

• IUPAC Name: 4-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
• InChI: InChI=1S/C11H8F3N3/c12-11(13,14)8-3-1-2-7(6-8)9-4-5-16-10(15)17-9/h1-6H,(H2,15,16,17)
• InChI Key: XHPUQDCNDMTXSO-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=NC=C2)N

• Molecular Formula: C11H8F3N3
• Molecular Weight: 239.20

• XLogP3-AA: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 239.06703175 g/mol
• Monoisotopic Mass: 239.06703175 g/mol
• Topological Polar Surface Area: 51.8Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 257