chempirical

2,4,6-Tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine

C24F45N3CAS 21674-38-41185.21 g/mol

Open in Covalent MOL file
FFFFFFFFFFFFFFFNFFFFFFFFFFFFFFFNFFFFFFFFFFFFFFFN
Alkyl halide

Properties

Molecular formula
C24F45N3
Molar mass
1185.21 g/mol
Exact mass
1184.9374 Da
logP
14.36Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
18

Identifiers

CAS number
21674-38-4
SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1
InChIKey
BFAUAMWYFFXWLX-UHFFFAOYSA-N
InChI
InChI=1S/C24F45N3/c25-4(26,7(31,32)10(37,38)13(43,44)16(49,50)19(55,56)22(61,62)63)1-70-2(5(27,28)8(33,34)11(39,40)14(45,46)17(51,52)20(57,58)23(64,65)66)72-3(71-1)6(29,30)9(35,36)12(41,42)15(47,48)18(53,54)21(59,60)24(67,68)69

Weigh it out

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

Names and synonyms

8 names
  • 1,3,5-Triazine, 2,4,6-tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-
  • s-Triazine, 2,4,6-tris(pentadecafluoroheptyl)-
  • 1,3,5-Triazine, 2,4,6-tris(pentadecafluoroheptyl)-
  • 2,4,6-Tris(perfluoroheptyl)-1,3,5-triazine
  • 2,4,6-Tris(perfluoroheptyl)-s-triazine
  • Tris(perfluoroheptyl)triazine
  • Tris(perfluoroheptyl)-s-triazine
  • 2,4,6-Tris(pentadecafluoroheptyl)-1,3,5-triazine

Work with 2,4,6-Tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,6-Tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine57101-59-4100 % similar 2,4,6-Tris(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine915-76-481 % similar 2,4,6-Tris(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine858-46-859 % similar Perfluorooctane307-34-650 % similar Perfluorododecane307-59-550 % 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-Triacontafluorotetradecane307-62-050 % similar Perfluoroheptane335-57-950 % similar Perfluorohexane355-42-050 % similar

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

Elsewhere

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