677-69-0 Purity
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Specification
The molecular formula of the compound is C13H14F2N2O3.
The molecular weight of the compound is 284.26 g/mol.
The IUPAC name of the compound is 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione.
The InChI of the compound is InChI=1S/C13H14F2N2O3/c1-13(10(18)16-12(19)17-13)7-6-8-2-4-9(5-3-8)20-11(14)15/h2-5,11H,6-7H2,1H3,(H2,16,17,18,19).
The InChIKey of the compound is QZXSDUPPEHKKQV-UHFFFAOYSA-N.
The canonical SMILES of the compound is CC1(C(=O)NC(=O)N1)CCC2=CC=C(C=C2)OC(F)F.
The XLogP3-AA value of the compound is 2.4.
The compound has 2 hydrogen bond donor counts.
The compound has 5 hydrogen bond acceptor counts.
The compound has 5 rotatable bond counts.