2-{4-[4-(Trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}ethanol

• Catalog: OFC651004998
• CAS: 651004-99-8
• Category: Fluorinated Pyrimidines
• MDL Number: MFCD01312087

• IUPAC Name: 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol
• InChI: InChI=1S/C11H15F3N4O/c12-11(13,14)9-1-2-15-10(16-9)18-5-3-17(4-6-18)7-8-19/h1-2,19H,3-8H2
• InChI Key: AWGYMFGFNLYHOH-UHFFFAOYSA-N
• Isomeric SMILES: C1CN(CCN1CCO)C2=NC=CC(=N2)C(F)(F)F

• Molecular Formula: C11H15F3N4O
• Molecular Weight: 276.26

• XLogP3-AA: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 276.11979560 g/mol
• Monoisotopic Mass: 276.11979560 g/mol
• Topological Polar Surface Area: 52.5Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 282