1-[[2-Fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione

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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

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

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-Bromo-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-1H-pyrimidine-2,4-dione830346-48-048 % similar 2-Fluoro-6-(trifluoromethyl)benzyl alcohol152211-15-943 % similar 2-Fluoro-6-(trifluoromethyl)phenylacetic acid179946-32-841 % similar 5-(2-Fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione1150560-59-041 % similar 2-Fluoro-6-(trifluoromethyl)benzylamine239087-06-040 % similar 2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene239087-08-240 % similar 2-Fluoro-6-(trifluoromethyl)phenylacetonitrile179946-34-038 % 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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