chempirical

2,4-Dichloro-5-(trifluoromethyl)pyrimidine

C5HCl2F3N2CAS 3932-97-6216.97 g/mol

Open in Covalent MOL file
FFFNClNCl
Alkyl halideAryl halide

Properties

Molecular formula
C5HCl2F3N2
Molar mass
216.97 g/mol
Exact mass
215.9469 Da
Boiling point
126 °C (at 650 Torr)
logP
2.80Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
3932-97-6
SMILES
FC(F)(F)c1cnc(Cl)nc1Cl
InChIKey
IDRUEHMBFUJKAK-UHFFFAOYSA-N
InChI
InChI=1S/C5HCl2F3N2/c6-3-2(5(8,9)10)1-11-4(7)12-3/h1H

Weigh it out

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

Names and synonyms

3 names
  • Pyrimidine, 2,4-dichloro-5-(trifluoromethyl)-
  • 5-Trifluoromethyl-2,4-dichloropyrimidine
  • 2,6-Dichloro-5-trifluoromethylpyrimidine

Work with 2,4-Dichloro-5-(trifluoromethyl)pyrimidine

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

2,4-Dichloro-5-fluoropyrimidine2927-71-150 % similar 2,6-Dichloro-3-(trifluoromethyl)pyridine55304-75-150 % similar 2-Chloro-3-(trifluoromethyl)pyridine65753-47-145 % similar 2,4-Dichloro-5-iodopyrimidine13544-44-045 % similar 2,4-Dichloro-5-methylpyrimidine1780-31-045 % similar 5-Bromo-2,4-dichloropyrimidine36082-50-545 % similar 2-Chloro-4-(trifluoromethyl)-5-pyrimidinecarbonyl chloride154934-99-345 % similar 2-Chloro-3-fluoro-4-(trifluoromethyl)pyridine628692-22-843 % similar

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

Elsewhere

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