chempirical

2-(Trifluoromethyl)pyrimidine

C5H3F3N2CAS 116470-67-8148.09 g/mol

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Alkyl halide

Properties

Molecular formula
C5H3F3N2
Molar mass
148.09 g/mol
Exact mass
148.0248 Da
logP
1.50Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
116470-67-8
SMILES
FC(F)(F)c1ncccn1
InChIKey
BQDJLAWUTBCDHK-UHFFFAOYSA-N
InChI
InChI=1S/C5H3F3N2/c6-5(7,8)4-9-2-1-3-10-4/h1-3H

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Names and synonyms

1 names
  • Pyrimidine, 2-(trifluoromethyl)-

Work with 2-(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-(Trifluoromethyl)pyridine368-48-948 % similar 2,4,6-Tris(trifluoromethyl)-1,3,5-triazine368-66-145 % similar 2-Chloro-3-(trifluoromethyl)pyridine65753-47-141 % similar 2,2'-Bipyrimidine34671-83-540 % similar 2-Hydrazinyl-3-(trifluoromethyl)pyridine89570-83-239 % similar 2-Methoxy-3-(trifluoromethyl)pyridine121643-44-538 % similar 3-(Trifluoromethyl)pyridine-2-carboxaldehyde131747-62-138 % similar 7-(Trifluoromethyl)quinoline325-14-438 % similar

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

Elsewhere

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