1-[3,5-Bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazol-1-yl]-2,2,3,3,4,4,5,5,5-nonafluoro-1-pentanone

CAS Registry Number®

231630-88-9

CAS Name

1-[3,5-Bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazol-1-yl]-2,2,3,3,4,4,5,5,5-nonafluoro-1-pentanone

Molecular Formula

C20HF35N2O

Molecular Mass

950.18

Cite this Page

1-[3,5-Bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazol-1-yl]-2,2,3,3,4,4,5,5,5-nonafluoro-1-pentanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=231630-88-9 (retrieved 2024-11-23) (CAS RN: 231630-88-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20HF35N2O/c21-5(22,8(27,28)11(33,34)13(37,38)16(43,44)19(50,51)52)2-1-3(57(56-2)4(58)7(25,26)10(31,32)15(41,42)18(47,48)49)6(23,24)9(29,30)12(35,36)14(39,40)17(45,46)20(53,54)55/h1H

InChIKey

InChIKey=RZZCMOKELUIWLJ-UHFFFAOYSA-N

SMILES

C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)C=1N(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)=O)N=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C1

Canonical SMILES

O=C(N1N=C(C=C1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Other Names for this Substance

  • 1-Pentanone, 1-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazol-1-yl]-2,2,3,3,4,4,5,5,5-nonafluoro-
  • 1H-Pyrazole, 1-(2,2,3,3,4,4,5,5,5-nonafluoro-1-oxopentyl)-3,5-bis(tridecafluorohexyl)-
  • 1-[3,5-Bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazol-1-yl]-2,2,3,3,4,4,5,5,5-nonafluoro-1-pentanone

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