chempirical

2,4,6-Tris(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine

C9F15N3CAS 858-46-8435.10 g/mol

Open in Covalent MOL file
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Alkyl halide

Properties

Molecular formula
C9F15N3
Molar mass
435.10 g/mol
Exact mass
434.9853 Da
Density
1.651 g/mL (at 25 °C)
Boiling point
121–122 °C
logP
4.83Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
858-46-8
SMILES
FC(F)(F)C(F)(F)c1nc(C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)F)n1
InChIKey
MQBPAXAOMVELQG-UHFFFAOYSA-N
InChI
InChI=1S/C9F15N3/c10-4(11,7(16,17)18)1-25-2(5(12,13)8(19,20)21)27-3(26-1)6(14,15)9(22,23)24

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

Names and synonyms

3 names
  • 1,3,5-Triazine, 2,4,6-tris(1,1,2,2,2-pentafluoroethyl)-
  • s-Triazine, 2,4,6-tris(pentafluoroethyl)-
  • 1,3,5-Triazine, 2,4,6-tris(pentafluoroethyl)-

Work with 2,4,6-Tris(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine

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-Tris(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine915-76-465 % similar 2,4,6-Tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine21674-38-459 % similar 2,4,6-Tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine57101-59-459 % similar 2,4,6-Tris(trifluoromethyl)-1,3,5-triazine368-66-142 % similar Hexafluoroethane76-16-431 % similar

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

Elsewhere

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