1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxohexoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;tetrakis(triphenylsulfanium)

C105H98F8O26S8 — CID 158879045

IUPAC1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxohexoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;tetrakis(triphenylsulfanium)
SMILESCC(=O)CCCCOC(=O)C(F)(F)S(=O)(=O)[O-].O=C(OCC1CC2CC1C1CCCC21)C(F)(F)S(=O)(=O)[O-].O=C1OCC(COC(=O)C(F)(F)S(=O)(=O)[O-])O1.O=C1OCCC1OC(=O)C(F)(F)S(=O)(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15S.C13H18F2O5S.C8H12F2O6S.C6H6F2O8S.C6H6F2O7S/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-13(15,21(17,18)19)12(16)20-6-8-4-7-5-11(8)10-3-1-2-9(7)10;1-6(11)4-2-3-5-16-7(12)8(9,10)17(13,14)15;7-6(8,17(11,12)13)4(9)14-1-3-2-15-5(10)16-3;7-6(8,16(11,12)13)5(10)15-3-1-2-14-4(3)9/h4*1-15H;7-11H,1-6H2,(H,17,18,19);2-5H2,1H3,(H,13,14,15);3H,1-2H2,(H,11,12,13);3H,1-2H2,(H,11,12,13)/q4*+1;;;;/p-4
InChIKeyJCUOOTOSXOVWSB-UHFFFAOYSA-J
MW2184.43 g/mol
LogP19.48
Rot. Bonds30

About 1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxohexoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;tetrakis(triphenylsulfanium)

1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxohexoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;tetrakis(triphenylsulfanium) (PubChem CID 158879045) has the molecular formula C105H98F8O26S8 and a molecular weight of 2184.43 g/mol. Its IUPAC name is 1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxohexoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;tetrakis(triphenylsulfanium).

Molecular Properties

Compound Name1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxohexoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;tetrakis(triphenylsulfanium)
PubChem CID158879045
Molecular FormulaC105H98F8O26S8
Molecular Weight2184.43 g/mol
Exact Mass2182.40
IUPAC Name1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxohexoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;tetrakis(triphenylsulfanium)
SMILESCC(=O)CCCCOC(=O)C(F)(F)S(=O)(=O)[O-].O=C(OCC1CC2CC1C1CCCC21)C(F)(F)S(=O)(=O)[O-].O=C1OCC(COC(=O)C(F)(F)S(=O)(=O)[O-])O1.O=C1OCCC1OC(=O)C(F)(F)S(=O)(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15S.C13H18F2O5S.C8H12F2O6S.C6H6F2O8S.C6H6F2O7S/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-13(15,21(17,18)19)12(16)20-6-8-4-7-5-11(8)10-3-1-2-9(7)10;1-6(11)4-2-3-5-16-7(12)8(9,10)17(13,14)15;7-6(8,17(11,12)13)4(9)14-1-3-2-15-5(10)16-3;7-6(8,16(11,12)13)5(10)15-3-1-2-14-4(3)9/h4*1-15H;7-11H,1-6H2,(H,17,18,19);2-5H2,1H3,(H,13,14,15);3H,1-2H2,(H,11,12,13);3H,1-2H2,(H,11,12,13)/q4*+1;;;;/p-4
InChIKeyJCUOOTOSXOVWSB-UHFFFAOYSA-J
XLogP19.48
TPSA412.90 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002184.43
LogP ≤ 519.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxohexoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;tetrakis(triphenylsulfanium) with MolForge

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Related Compounds

1,1-difluoro-2-[(2-methyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxohexoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;2-(2,3-dihydroxypropoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(1,3-dioxolan-4-ylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;pentakis(triphenylsulfanium)
CID 157366375
2-(13-bromotridecoxy)-1,1-difluoro-2-oxoethanesulfonate;triphenylsulfanium
CID 87124147
1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethanesulfonate;hydride;bis(triphenylsulfanium)
CID 157366139
2-(17-chloroheptadecoxy)-1,1-difluoro-2-oxoethanesulfonate;(4-fluorophenyl)-diphenylsulfanium
CID 87123839
2-(6-bromohexoxy)-1,1-difluoro-2-oxoethanesulfonate;tris(4-fluorophenyl)sulfanium
CID 87123837
1,1-difluoro-2-[[5-(2-methylprop-2-enoyloxy)-2-bicyclo[2.2.1]heptanyl]oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[4-(2-methylprop-2-enoyloxy)butoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[3-(2-methylprop-2-enoyloxy)cyclopentyl]oxy-2-oxoethanesulfonate;1,1-difluoro-2-[4-(2-methylprop-2-enoyloxy)pentoxy]-2-oxoethanesulfonate;tetrakis(triphenylsulfanium)
CID 159747125
2-(6-bromohexoxy)-1,1-difluoro-2-oxoethanesulfonate;(4-fluorophenyl)-bis(2-methylphenyl)sulfanium
CID 87123908
1,1-difluoro-2-[6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[[5-(2-methylprop-2-enoyloxy)-2-bicyclo[2.2.1]heptanyl]oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[4-(2-methylprop-2-enoyloxy)butoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[4-(2-methylprop-2-enoyloxy)cyclohexyl]oxy-2-oxoethanesulfonate;1,1-difluoro-2-[3-(2-methylprop-2-enoyloxy)cyclopentyl]oxy-2-oxoethanesulfonate;1,1-difluoro-2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethanesulfonate;hexakis(triphenylsulfanium)
CID 157439940
2-(10-bromodecoxy)-1,1-difluoro-2-oxoethanesulfonate;(3-fluorophenyl)-methyl-(oxan-2-yl)sulfanium
CID 87124136
1,1-difluoro-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethanesulfonate;1,1-difluoro-2-[6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[[5-(2-methylprop-2-enoyloxy)-2-bicyclo[2.2.1]heptanyl]oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[4-(2-methylprop-2-enoyloxy)butoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[4-(2-methylprop-2-enoyloxy)cyclohexyl]oxy-2-oxoethanesulfonate;1,1-difluoro-2-[3-(2-methylprop-2-enoyloxy)cyclopentyl]oxy-2-oxoethanesulfonate;hexakis(triphenylsulfanium)
CID 162039345
1-(1-adamantylmethoxy)-1,3-dioxo-3-[(2-oxo-1,3-dioxolan-4-yl)methoxy]propane-2-sulfonate;1-(cyclohexylmethoxy)-3-(cyclohexylmethylamino)-1,3-dioxopropane-2-sulfonate;1,3-dioxo-1,3-bis(4,4,4-trifluoro-3-hydroxy-3-methylbutoxy)propane-2-sulfonate;1-(9H-fluoren-9-ylmethoxy)-1,3-dioxo-3-[(2-oxo-1,3-dioxolan-4-yl)methoxy]propane-2-sulfonate;tetrakis(triphenylsulfanium)
CID 157178987
bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate
CID 59449201

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxohexoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;tetrakis(triphenylsulfanium)?
The IUPAC name of 1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxohexoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;tetrakis(triphenylsulfanium) (CID 158879045) is 1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxohexoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;tetrakis(triphenylsulfanium).
What is the SMILES notation for 1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxohexoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;tetrakis(triphenylsulfanium)?
The canonical SMILES for 1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxohexoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;tetrakis(triphenylsulfanium) is CC(=O)CCCCOC(=O)C(F)(F)S(=O)(=O)[O-].O=C(OCC1CC2CC1C1CCCC21)C(F)(F)S(=O)(=O)[O-].O=C1OCC(COC(=O)C(F)(F)S(=O)(=O)[O-])O1.O=C1OCCC1OC(=O)C(F)(F)S(=O)(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxohexoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;tetrakis(triphenylsulfanium)?
The InChIKey is JCUOOTOSXOVWSB-UHFFFAOYSA-J. The full InChI is InChI=1S/4C18H15S.C13H18F2O5S.C8H12F2O6S.C6H6F2O8S.C6H6F2O7S/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-13(15,21(17,18)19)12(16)20-6-8-4-7-5-11(8)10-3-1-2-9(7)10;1-6(11)4-2-3-5-16-7(12)8(9,10)17(13,14)15;7-6(8,17(11,12)13)4(9)14-1-3-2-15-5(10)16-3;7-6(8,16(11,12)13)5(10)15-3-1-2-14-4(3)9/h4*1-15H;7-11H,1-6H2,(H,17,18,19);2-5H2,1H3,(H,13,14,15);3H,1-2H2,(H,11,12,13);3H,1-2H2,(H,11,12,13)/q4*+1;;;;/p-4.
What are the key properties of 1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxohexoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;tetrakis(triphenylsulfanium)?
1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxohexoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;tetrakis(triphenylsulfanium) has a molecular weight of 2184.43 g/mol, XLogP of 19.48, 30 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxohexoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;tetrakis(triphenylsulfanium) is sourced from PubChem (CID 158879045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).