1-[[2-Fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione

C₁₃H₁₀F₄N₂O₂CAS 830346-47-9302.23 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Phenol

Properties

Molecular formula: C₁₃H₁₀F₄N₂O₂
Molar mass: 302.23 g/mol
Exact mass: 302.0678 Da
logP: 2.46Crippen estimate
Polar surface area: 55.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

830346-47-9

SMILES

Cc1cc(O)nc(=O)n1Cc1c(F)cccc1C(F)(F)F

InChIKey

IJRKKZXPXBTHER-UHFFFAOYSA-N

InChI

InChI=1S/C13H10F4N2O2/c1-7-5-11(20)18-12(21)19(7)6-8-9(13(15,16)17)3-2-4-10(8)14/h2-5H,6H2,1H3,(H,18,20,21)

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Names and synonyms

2 names

2,4(1H,3H)-Pyrimidinedione, 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-
1-[2-Fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1H,3H)-dione

Work with 1-[[2-Fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-[2-Fluoro-6-(trifluoromethyl)benzyl]-5-iodo-6-methylpyrimidine-2,4(1H,3H)-dione1150560-54-548 % similar 5-(2-Fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione1150560-59-041 % similar 2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene239087-08-240 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-536 % similar 4-(Trifluoromethyl)-2(1H)-quinolinone25199-84-234 % similar 2-Fluoro-6-(trifluoromethyl)benzoic acid32890-94-133 % similar 2-Fluorobenzotrifluoride392-85-833 % similar 2-Bromo-3-fluorobenzotrifluoride104540-42-332 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-(4-Fluorophenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester175137-38-9

Elsewhere

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