2,4,6-Trifluoropyrimidine

C₄HF₃N₂CAS 696-82-2134.06 g/mol

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Properties

Molecular formula: C₄HF₃N₂
Molar mass: 134.06 g/mol
Exact mass: 134.0092 Da
Boiling point: 98 °C
logP: 0.89Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

696-82-2

SMILES

Fc1cc(F)nc(F)n1

InChIKey

NTSYSQNAPGMSIH-UHFFFAOYSA-N

InChI

InChI=1S/C4HF3N2/c5-2-1-3(6)9-4(7)8-2/h1H

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

Names and synonyms

1 names

Pyrimidine, 2,4,6-trifluoro-

Work with 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

2,4,6-Trifluoropyridine3512-17-250 % similar Cyanuric fluoride675-14-950 % similar 4,6-Difluoropyrimidine2802-62-245 % similar 2,6-Difluoropyridine1513-65-138 % similar 4,6-Difluoro-2-pyrimidinamine675-11-637 % similar 5-Chloro-2,4,6-trifluoropyrimidine697-83-633 % similar 2,4-Difluoropyridine34941-90-731 % similar 2,3,6-Trifluoropyridine3512-18-331 % similar

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

Elsewhere

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