Organofluorine / Alfa Chemistry
Ethyl 4-(trifluoromethyl)pyrimidine-5-carboxylate

Ethyl 4-(trifluoromethyl)pyrimidine-5-carboxylate

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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
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Other Identifiers Chemical Data Computational Chemistry
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

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