chempirical

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-triazine

C30F57N3CAS 57101-59-41485.26 g/mol

Open in Covalent MOL file
FFFFFFFFFFFFFFFFFFFNFFFFFFFFFFFFFFFFFFFNFFFFFFFFFFFFFFFFFFFN
Alkyl halide

Properties

Molecular formula
C30F57N3
Molar mass
1485.26 g/mol
Exact mass
1484.9182 Da
logP
18.18Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
24

Identifiers

CAS number
57101-59-4
SMILES
FC(F)(F)C(F)(F)C(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)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)C(F)(F)C(F)(F)F)n1
InChIKey
RTAZGRONMASOMW-UHFFFAOYSA-N
InChI
InChI=1S/C30F57N3/c31-4(32,7(37,38)10(43,44)13(49,50)16(55,56)19(61,62)22(67,68)25(73,74)28(79,80)81)1-88-2(5(33,34)8(39,40)11(45,46)14(51,52)17(57,58)20(63,64)23(69,70)26(75,76)29(82,83)84)90-3(89-1)6(35,36)9(41,42)12(47,48)15(53,54)18(59,60)21(65,66)24(71,72)27(77,78)30(85,86)87

Weigh it out

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

Names and synonyms

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

Work with 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-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(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine21674-38-4100 % 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

PubChem CAS Common Chemistry NIST WebBook