chempirical

5-Chloro-2,4,6-trifluoropyrimidine

C4ClF3N2CAS 697-83-6168.50 g/mol

Open in Covalent MOL file
FNFClFN
Aryl halide

Properties

Molecular formula
C4ClF3N2
Molar mass
168.50 g/mol
Exact mass
167.9702 Da
Boiling point
114.5 °C
logP
1.55Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
697-83-6
SMILES
Fc1nc(F)c(Cl)c(F)n1
InChIKey
GOYNRDSJTYLXBU-UHFFFAOYSA-N
InChI
InChI=1S/C4ClF3N2/c5-1-2(6)9-4(8)10-3(1)7

Weigh it out

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

Names and synonyms

4 names
  • Pyrimidine, 5-chloro-2,4,6-trifluoro-
  • 2,4,6-Trifluoro-5-chloropyrimidine
  • Trifluoro-5-chloropyrimidine
  • 5-Chloroperfluoropyrimidine

Work with 5-Chloro-2,4,6-trifluoropyrimidine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Dichloro-2,4,6-trifluoropyridine1737-93-555 % similar 3,5-Dichloro-2,6-difluoro-4-pyridinamine2840-00-850 % similar Cyanuric fluoride675-14-944 % similar 1,3,5-Trichloro-2,4,6-trifluorobenzene319-88-033 % similar 2,4,6-Trifluoropyrimidine696-82-233 % similar Chloropentafluorobenzene344-07-032 % similar 1,3-Dichloro-2,4,5,6-tetrafluorobenzene1198-61-430 % similar Pentachloropyridine2176-62-730 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook