chempirical

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

C12F21N3CAS 915-76-4585.12 g/mol

Open in Covalent MOL file
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Alkyl halide

Properties

Molecular formula
C12F21N3
Molar mass
585.12 g/mol
Exact mass
584.9757 Da
Density
1.716 g/mL (at 25 °C)
Melting point
35 °C
Boiling point
164.5–165 °C
logP
6.74Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Identifiers

CAS number
915-76-4
SMILES
FC(F)(F)C(F)(F)C(F)(F)c1nc(C(F)(F)C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)C(F)(F)F)n1
InChIKey
KXQUYHRRCVECPV-UHFFFAOYSA-N
InChI
InChI=1S/C12F21N3/c13-4(14,7(19,20)10(25,26)27)1-34-2(5(15,16)8(21,22)11(28,29)30)36-3(35-1)6(17,18)9(23,24)12(31,32)33

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

Names and synonyms

5 names
  • 1,3,5-Triazine, 2,4,6-tris(1,1,2,2,3,3,3-heptafluoropropyl)-
  • s-Triazine, 2,4,6-tris(heptafluoropropyl)-
  • 1,3,5-Triazine, 2,4,6-tris(heptafluoropropyl)-
  • NSC 71020
  • 2,4,6-Tris(heptafluoropropyl)-1,3,5-triazine

Work with 2,4,6-Tris(1,1,2,2,3,3,3-heptafluoropropyl)-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(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine21674-38-481 % 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-triazine57101-59-481 % similar 2,4,6-Tris(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine858-46-865 % similar Perfluorobutane355-25-942 % similar Octafluoropropane76-19-742 % similar Perfluorooctane307-34-640 % similar Perfluorododecane307-59-540 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Triacontafluorotetradecane307-62-040 % similar

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

Elsewhere

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