chempirical

4,5,6-Trifluoropyrimidine

C4HF3N2CAS 17573-78-3134.06 g/mol

Open in Covalent MOL file
NNFFF
Aryl halide

Properties

Molecular formula
C4HF3N2
Molar mass
134.06 g/mol
Exact mass
134.0092 Da
logP
0.89Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
17573-78-3
SMILES
C1=NC(=C(C(=N1)F)F)F
InChIKey
AQKOJKCYBNUFLU-UHFFFAOYSA-N
InChI
InChI=1S/C4HF3N2/c5-2-3(6)8-1-9-4(2)7/h1H

Weigh it out

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

Work with 4,5,6-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Fluoropyrimidine-4,6-diol106615-61-645 % similar 4,6-Dichloro-5-fluoropyrimidine213265-83-945 % similar 2,3-Difluoro-4-iodopyridine851386-34-042 % similar Pentafluoropyridine700-16-340 % similar 4,6-Difluoropyrimidine2802-62-238 % similar 6-Chloro-5-fluoropyrimidin-4-amine851984-15-136 % similar 2,3-Difluoropyridine-4-carboxylic acid851386-31-734 % similar 4-Amino-2,3,5,6-tetrafluoropyridine1682-20-833 % similar

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

Same formula

2,4,6-Trifluoropyrimidine696-82-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook