1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane;1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane;(2-ethyl-6-propan-2-ylphenyl) oxidoperoxysulfanylmethanesulfonate;methane;methanidylsulfonylmethane;tetrakis((4-methylphenyl)-diphenylsulfanium);methylsulfonylmethane;1-(oxidoperoxysulfanylmethylsulfonyl)azocane;phenylsulfanium;1,2,4,5-tetrafluoro-3-methylsulfonyl-6-oxidoperoxysulfanylbenzene

C166H194F30NO38S27+3 — CID 159236727

IUPAC1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane;1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane;(2-ethyl-6-propan-2-ylphenyl) oxidoperoxysulfanylmethanesulfonate;methane;methanidylsulfonylmethane;tetrakis((4-methylphenyl)-diphenylsulfanium);methylsulfonylmethane;1-(oxidoperoxysulfanylmethylsulfonyl)azocane;phenylsulfanium;1,2,4,5-tetrafluoro-3-methylsulfonyl-6-oxidoperoxysulfanylbenzene
SMILESC.C.C.C.C.CCc1cccc(C(C)C)c1OS(=O)(=O)CSOO[O-].CS(=O)(=O)c1c(F)c(F)c(SOO[O-])c(F)c1F.CS(C)(=O)=O.CS(C)(=O)=O.CS(C)(=O)=O.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)(CSOO[O-])N1CCCCCCC1.O=S(=O)([C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.O=S(=O)([C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)F.[CH2-]S(C)(=O)=O.[CH2-]S(C)(=O)=O.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1
InChIInChI=1S/4C19H17S.C12H18O6S2.C8H17NO5S2.C7F15O6S3.C7H4F4O5S2.6C6H6S.C5F11O6S3.3C2H6O2S.2C2H5O2S.5CH4/c4*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-4-10-6-5-7-11(9(2)3)12(10)16-20(14,15)8-19-18-17-13;10-13-14-15-8-16(11,12)9-6-4-2-1-3-5-7-9;8-2(9,4(12,13)14)3(10,11)5(15,16)29(23,24)1(30(25,26)6(17,18)19)31(27,28)7(20,21)22;1-18(13,14)7-4(10)2(8)6(17-16-15-12)3(9)5(7)11;6*7-6-4-2-1-3-5-6;6-2(7,8)3(9,10)23(17,18)1(24(19,20)4(11,12)13)25(21,22)5(14,15)16;5*1-5(2,3)4;;;;;/h4*2-15H,1H3;5-7,9,13H,4,8H2,1-3H3;10H,1-8H2;;12H,1H3;6*1-5,7H;;3*1-2H3;2*1H2,2H3;5*1H4/q4*+1;;;-1;;;;;;;;-1;;;;2*-1;;;;;/p+3
InChIKeyKTOMFKLMZLDVBB-UHFFFAOYSA-Q
MW4247.10 g/mol
LogP36.73
Rot. Bonds39

About 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane;1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane;(2-ethyl-6-propan-2-ylphenyl) oxidoperoxysulfanylmethanesulfonate;methane;methanidylsulfonylmethane;tetrakis((4-methylphenyl)-diphenylsulfanium);methylsulfonylmethane;1-(oxidoperoxysulfanylmethylsulfonyl)azocane;phenylsulfanium;1,2,4,5-tetrafluoro-3-methylsulfonyl-6-oxidoperoxysulfanylbenzene

1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane;1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane;(2-ethyl-6-propan-2-ylphenyl) oxidoperoxysulfanylmethanesulfonate;methane;methanidylsulfonylmethane;tetrakis((4-methylphenyl)-diphenylsulfanium);methylsulfonylmethane;1-(oxidoperoxysulfanylmethylsulfonyl)azocane;phenylsulfanium;1,2,4,5-tetrafluoro-3-methylsulfonyl-6-oxidoperoxysulfanylbenzene (PubChem CID 159236727) has the molecular formula C166H194F30NO38S27+3 and a molecular weight of 4247.10 g/mol. Its IUPAC name is 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane;1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane;(2-ethyl-6-propan-2-ylphenyl) oxidoperoxysulfanylmethanesulfonate;methane;methanidylsulfonylmethane;tetrakis((4-methylphenyl)-diphenylsulfanium);methylsulfonylmethane;1-(oxidoperoxysulfanylmethylsulfonyl)azocane;phenylsulfanium;1,2,4,5-tetrafluoro-3-methylsulfonyl-6-oxidoperoxysulfanylbenzene.

Molecular Properties

Compound Name1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane;1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane;(2-ethyl-6-propan-2-ylphenyl) oxidoperoxysulfanylmethanesulfonate;methane;methanidylsulfonylmethane;tetrakis((4-methylphenyl)-diphenylsulfanium);methylsulfonylmethane;1-(oxidoperoxysulfanylmethylsulfonyl)azocane;phenylsulfanium;1,2,4,5-tetrafluoro-3-methylsulfonyl-6-oxidoperoxysulfanylbenzene
PubChem CID159236727
Molecular FormulaC166H194F30NO38S27+3
Molecular Weight4247.10 g/mol
Exact Mass4242.52
IUPAC Name1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane;1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane;(2-ethyl-6-propan-2-ylphenyl) oxidoperoxysulfanylmethanesulfonate;methane;methanidylsulfonylmethane;tetrakis((4-methylphenyl)-diphenylsulfanium);methylsulfonylmethane;1-(oxidoperoxysulfanylmethylsulfonyl)azocane;phenylsulfanium;1,2,4,5-tetrafluoro-3-methylsulfonyl-6-oxidoperoxysulfanylbenzene
SMILESC.C.C.C.C.CCc1cccc(C(C)C)c1OS(=O)(=O)CSOO[O-].CS(=O)(=O)c1c(F)c(F)c(SOO[O-])c(F)c1F.CS(C)(=O)=O.CS(C)(=O)=O.CS(C)(=O)=O.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)(CSOO[O-])N1CCCCCCC1.O=S(=O)([C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.O=S(=O)([C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)F.[CH2-]S(C)(=O)=O.[CH2-]S(C)(=O)=O.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1
InChIInChI=1S/4C19H17S.C12H18O6S2.C8H17NO5S2.C7F15O6S3.C7H4F4O5S2.6C6H6S.C5F11O6S3.3C2H6O2S.2C2H5O2S.5CH4/c4*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-4-10-6-5-7-11(9(2)3)12(10)16-20(14,15)8-19-18-17-13;10-13-14-15-8-16(11,12)9-6-4-2-1-3-5-7-9;8-2(9,4(12,13)14)3(10,11)5(15,16)29(23,24)1(30(25,26)6(17,18)19)31(27,28)7(20,21)22;1-18(13,14)7-4(10)2(8)6(17-16-15-12)3(9)5(7)11;6*7-6-4-2-1-3-5-6;6-2(7,8)3(9,10)23(17,18)1(24(19,20)4(11,12)13)25(21,22)5(14,15)16;5*1-5(2,3)4;;;;;/h4*2-15H,1H3;5-7,9,13H,4,8H2,1-3H3;10H,1-8H2;;12H,1H3;6*1-5,7H;;3*1-2H3;2*1H2,2H3;5*1H4/q4*+1;;;-1;;;;;;;;-1;;;;2*-1;;;;;/p+3
InChIKeyKTOMFKLMZLDVBB-UHFFFAOYSA-Q
XLogP36.73
TPSA614.99 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds39
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004247.10
LogP ≤ 536.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane;1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane;(2-ethyl-6-propan-2-ylphenyl) oxidoperoxysulfanylmethanesulfonate;methane;methanidylsulfonylmethane;tetrakis((4-methylphenyl)-diphenylsulfanium);methylsulfonylmethane;1-(oxidoperoxysulfanylmethylsulfonyl)azocane;phenylsulfanium;1,2,4,5-tetrafluoro-3-methylsulfonyl-6-oxidoperoxysulfanylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane;1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane;(2-ethyl-6-propan-2-ylphenyl) oxidoperoxysulfanylmethanesulfonate;methane;methanidylsulfonylmethane;tetrakis((4-methylphenyl)-diphenylsulfanium);methylsulfonylmethane;1-(oxidoperoxysulfanylmethylsulfonyl)azocane;phenylsulfanium;1,2,4,5-tetrafluoro-3-methylsulfonyl-6-oxidoperoxysulfanylbenzene?
The IUPAC name of 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane;1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane;(2-ethyl-6-propan-2-ylphenyl) oxidoperoxysulfanylmethanesulfonate;methane;methanidylsulfonylmethane;tetrakis((4-methylphenyl)-diphenylsulfanium);methylsulfonylmethane;1-(oxidoperoxysulfanylmethylsulfonyl)azocane;phenylsulfanium;1,2,4,5-tetrafluoro-3-methylsulfonyl-6-oxidoperoxysulfanylbenzene (CID 159236727) is 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane;1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane;(2-ethyl-6-propan-2-ylphenyl) oxidoperoxysulfanylmethanesulfonate;methane;methanidylsulfonylmethane;tetrakis((4-methylphenyl)-diphenylsulfanium);methylsulfonylmethane;1-(oxidoperoxysulfanylmethylsulfonyl)azocane;phenylsulfanium;1,2,4,5-tetrafluoro-3-methylsulfonyl-6-oxidoperoxysulfanylbenzene.
What is the SMILES notation for 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane;1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane;(2-ethyl-6-propan-2-ylphenyl) oxidoperoxysulfanylmethanesulfonate;methane;methanidylsulfonylmethane;tetrakis((4-methylphenyl)-diphenylsulfanium);methylsulfonylmethane;1-(oxidoperoxysulfanylmethylsulfonyl)azocane;phenylsulfanium;1,2,4,5-tetrafluoro-3-methylsulfonyl-6-oxidoperoxysulfanylbenzene?
The canonical SMILES for 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane;1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane;(2-ethyl-6-propan-2-ylphenyl) oxidoperoxysulfanylmethanesulfonate;methane;methanidylsulfonylmethane;tetrakis((4-methylphenyl)-diphenylsulfanium);methylsulfonylmethane;1-(oxidoperoxysulfanylmethylsulfonyl)azocane;phenylsulfanium;1,2,4,5-tetrafluoro-3-methylsulfonyl-6-oxidoperoxysulfanylbenzene is C.C.C.C.C.CCc1cccc(C(C)C)c1OS(=O)(=O)CSOO[O-].CS(=O)(=O)c1c(F)c(F)c(SOO[O-])c(F)c1F.CS(C)(=O)=O.CS(C)(=O)=O.CS(C)(=O)=O.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)(CSOO[O-])N1CCCCCCC1.O=S(=O)([C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.O=S(=O)([C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)F.[CH2-]S(C)(=O)=O.[CH2-]S(C)(=O)=O.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.
What is the InChIKey of 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane;1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane;(2-ethyl-6-propan-2-ylphenyl) oxidoperoxysulfanylmethanesulfonate;methane;methanidylsulfonylmethane;tetrakis((4-methylphenyl)-diphenylsulfanium);methylsulfonylmethane;1-(oxidoperoxysulfanylmethylsulfonyl)azocane;phenylsulfanium;1,2,4,5-tetrafluoro-3-methylsulfonyl-6-oxidoperoxysulfanylbenzene?
The InChIKey is KTOMFKLMZLDVBB-UHFFFAOYSA-Q. The full InChI is InChI=1S/4C19H17S.C12H18O6S2.C8H17NO5S2.C7F15O6S3.C7H4F4O5S2.6C6H6S.C5F11O6S3.3C2H6O2S.2C2H5O2S.5CH4/c4*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-4-10-6-5-7-11(9(2)3)12(10)16-20(14,15)8-19-18-17-13;10-13-14-15-8-16(11,12)9-6-4-2-1-3-5-7-9;8-2(9,4(12,13)14)3(10,11)5(15,16)29(23,24)1(30(25,26)6(17,18)19)31(27,28)7(20,21)22;1-18(13,14)7-4(10)2(8)6(17-16-15-12)3(9)5(7)11;6*7-6-4-2-1-3-5-6;6-2(7,8)3(9,10)23(17,18)1(24(19,20)4(11,12)13)25(21,22)5(14,15)16;5*1-5(2,3)4;;;;;/h4*2-15H,1H3;5-7,9,13H,4,8H2,1-3H3;10H,1-8H2;;12H,1H3;6*1-5,7H;;3*1-2H3;2*1H2,2H3;5*1H4/q4*+1;;;-1;;;;;;;;-1;;;;2*-1;;;;;/p+3.
What are the key properties of 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane;1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane;(2-ethyl-6-propan-2-ylphenyl) oxidoperoxysulfanylmethanesulfonate;methane;methanidylsulfonylmethane;tetrakis((4-methylphenyl)-diphenylsulfanium);methylsulfonylmethane;1-(oxidoperoxysulfanylmethylsulfonyl)azocane;phenylsulfanium;1,2,4,5-tetrafluoro-3-methylsulfonyl-6-oxidoperoxysulfanylbenzene?
1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane;1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane;(2-ethyl-6-propan-2-ylphenyl) oxidoperoxysulfanylmethanesulfonate;methane;methanidylsulfonylmethane;tetrakis((4-methylphenyl)-diphenylsulfanium);methylsulfonylmethane;1-(oxidoperoxysulfanylmethylsulfonyl)azocane;phenylsulfanium;1,2,4,5-tetrafluoro-3-methylsulfonyl-6-oxidoperoxysulfanylbenzene has a molecular weight of 4247.10 g/mol, XLogP of 36.73, 39 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane;1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane;(2-ethyl-6-propan-2-ylphenyl) oxidoperoxysulfanylmethanesulfonate;methane;methanidylsulfonylmethane;tetrakis((4-methylphenyl)-diphenylsulfanium);methylsulfonylmethane;1-(oxidoperoxysulfanylmethylsulfonyl)azocane;phenylsulfanium;1,2,4,5-tetrafluoro-3-methylsulfonyl-6-oxidoperoxysulfanylbenzene is sourced from PubChem (CID 159236727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).