CAS 915-76-4|tris(heptafluoropropyl)-1,3,5-triazine|tris(heptafluoropropyl)-1,3,5-triazine|Tris(heptafluoropropyl)-s-triazine|2,4,6-Tris(heptafluoropropyl)-1,3,5-triazine|2,4,6-Tris(heptafluoropropy...

General Information

Structure

Molecular Formula

C₁₂F₂₁N₃

Molecular Mass

585.1149672

Exact Mass

584.97568964

Charge

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

InChIKey

KXQUYHRRCVECPV-UHFFFAOYSA-N

Canonic Smiles

FC(C(C(F)(F)F)(F)F)(c1nc(nc(n1)C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)F

Isomeric Smiles

n1c(nc(nc1C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

9.205728

LogD (pH = 7.4)

9.205728

Log P

9.205728

Molar Refractivity

67.4334

Polarizability

24.693481

Polar Surface Area

38.67

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

IUPAC name

tris(heptafluoropropyl)-1,3,5-triazine

IUPAC Traditional name

tris(heptafluoropropyl)-1,3,5-triazine

Synonyms

Tris(heptafluoropropyl)-s-triazine2,4,6-Tris(heptafluoropropyl)-1,3,5-triazine2,4,6-Tris(heptafluoropropyl)-1,3,5-triazine2,4,6-三(七氟丙基)-1,3,5-三嗪2,4,6-Tris(heptafluoropropyl)-1,3,5-triazine, Mass Spec Std.2,4,6-三(七氟丙基)-1,3,5-三嗪, 质谱标准.

Names and Identifiers

Registration numbers

MDL Number

CAS Number

Beilstein Number

PubChem CID

EC Number