(4-(Trifluoromethyl)pyrimidin-2-yl)methanol

• Catalog: OFC1240594675
• CAS: 1240594-67-5
• Category: Fluorinated Pyrimidines
• Synonyms: 2-Pyrimidinemethanol, 4-(trifluoromethyl)-
• Purity: 97%
• MDL Number: MFCD16987898

• IUPAC Name: [4-(trifluoromethyl)pyrimidin-2-yl]methanol
• InChI: InChI=1S/C6H5F3N2O/c7-6(8,9)4-1-2-10-5(3-12)11-4/h1-2,12H,3H2
• InChI Key: UAUKCOHAEJTUND-UHFFFAOYSA-N
• Isomeric SMILES: C1=CN=C(N=C1C(F)(F)F)CO

• Molecular Formula: C6H5F3N2O
• Molecular Weight: 178.11

• XLogP3-AA: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 178.03539727 g/mol
• Monoisotopic Mass: 178.03539727 g/mol
• Topological Polar Surface Area: 46Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 150