Ethyl 4-(trifluoromethyl)pyrimidine-5-carboxylate

• Catalog: OFC187035810
• CAS: 187035-81-0
• Category: Fluorinated Pyrimidines
• Synonyms: 5-(Ethoxycarbonyl)-4-(trifluoromethyl)pyrimidine; 5-(Ethoxycarbonyl)-4-(trifluoromethyl)-1,3-diazine
• MDL Number: MFCD07367356

• IUPAC Name: ethyl 4-(trifluoromethyl)pyrimidine-5-carboxylate
• InChI: InChI=1S/C8H7F3N2O2/c1-2-15-7(14)5-3-12-4-13-6(5)8(9,10)11/h3-4H,2H2,1H3
• InChI Key: MXCQFZJBUCRYHU-UHFFFAOYSA-N
• Isomeric SMILES: CCOC(=O)C1=CN=CN=C1C(F)(F)F

• Molecular Formula: C8H7F3N2O2
• Molecular Weight: 220.15

• XLogP3-AA: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 220.04596196 g/mol
• Monoisotopic Mass: 220.04596196 g/mol
• Topological Polar Surface Area: 52.1Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 232