1,1-difluoro-2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(2-methylprop-2-enoyloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-3-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentane-1-sulfonate;tetrakis(triphenylsulfanium)

C118H110F14O26S8 — CID 157069551

About 1,1-difluoro-2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(2-methylprop-2-enoyloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-3-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentane-1-sulfonate;tetrakis(triphenylsulfanium)

1,1-difluoro-2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(2-methylprop-2-enoyloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-3-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentane-1-sulfonate;tetrakis(triphenylsulfanium) (PubChem CID 157069551) has the molecular formula C118H110F14O26S8 and a molecular weight of 2466.66 g/mol. Its IUPAC name is 1,1-difluoro-2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(2-methylprop-2-enoyloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-3-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentane-1-sulfonate;tetrakis(triphenylsulfanium).

Molecular Properties

• Compound Name: 1,1-difluoro-2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(2-methylprop-2-enoyloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-3-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentane-1-sulfonate;tetrakis(triphenylsulfanium)
• PubChem CID: 157069551
• Molecular Formula: C118H110F14O26S8
• Molecular Weight: 2466.66 g/mol
• Exact Mass: 2464.48
• IUPAC Name: 1,1-difluoro-2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(2-methylprop-2-enoyloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-3-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentane-1-sulfonate;tetrakis(triphenylsulfanium)
• SMILES: C=C(C)C(=O)OC1C2CC3C(OC(=O)C31)C2C(=O)OCC(F)(F)C(F)(F)S(=O)(=O)[O-].C=C(C)C(=O)OC1CC2CC1CC2C(F)(F)C(F)(F)S(=O)(=O)[O-].C=C(C)C(=O)OCCCC(F)(F)C(F)(F)S(=O)(=O)[O-].C=C(C)C(=O)OCCOC(=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
• InChI: InChI=1S/4C18H15S.C16H16F4O9S.C13H16F4O5S.C9H12F4O5S.C8H10F2O7S/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5(2)12(21)28-11-6-3-7-9(11)14(23)29-10(7)8(6)13(22)27-4-15(17,18)16(19,20)30(24,25)26;1-6(2)11(18)22-10-5-7-3-8(10)4-9(7)12(14,15)13(16,17)23(19,20)21;1-6(2)7(14)18-5-3-4-8(10,11)9(12,13)19(15,16)17;1-5(2)6(11)16-3-4-17-7(12)8(9,10)18(13,14)15/h4*1-15H;6-11H,1,3-4H2,2H3,(H,24,25,26);7-10H,1,3-5H2,2H3,(H,19,20,21);1,3-5H2,2H3,(H,15,16,17);1,3-4H2,2H3,(H,13,14,15)/q4*+1;;;;/p-4
• InChIKey: ACGMUTARSRDCEC-UHFFFAOYSA-J
• XLogP: 23.47
• TPSA: 412.90 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 37
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2466.66
LogP ≤ 5	23.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(2-methylprop-2-enoyloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-3-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentane-1-sulfonate;tetrakis(triphenylsulfanium)?

The IUPAC name of 1,1-difluoro-2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(2-methylprop-2-enoyloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-3-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentane-1-sulfonate;tetrakis(triphenylsulfanium) (CID 157069551) is 1,1-difluoro-2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(2-methylprop-2-enoyloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-3-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentane-1-sulfonate;tetrakis(triphenylsulfanium).

What is the SMILES notation for 1,1-difluoro-2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(2-methylprop-2-enoyloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-3-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentane-1-sulfonate;tetrakis(triphenylsulfanium)?

The canonical SMILES for 1,1-difluoro-2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(2-methylprop-2-enoyloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-3-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentane-1-sulfonate;tetrakis(triphenylsulfanium) is C=C(C)C(=O)OC1C2CC3C(OC(=O)C31)C2C(=O)OCC(F)(F)C(F)(F)S(=O)(=O)[O-].C=C(C)C(=O)OC1CC2CC1CC2C(F)(F)C(F)(F)S(=O)(=O)[O-].C=C(C)C(=O)OCCCC(F)(F)C(F)(F)S(=O)(=O)[O-].C=C(C)C(=O)OCCOC(=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-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(2-methylprop-2-enoyloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-3-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentane-1-sulfonate;tetrakis(triphenylsulfanium)?

The InChIKey is ACGMUTARSRDCEC-UHFFFAOYSA-J. The full InChI is InChI=1S/4C18H15S.C16H16F4O9S.C13H16F4O5S.C9H12F4O5S.C8H10F2O7S/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5(2)12(21)28-11-6-3-7-9(11)14(23)29-10(7)8(6)13(22)27-4-15(17,18)16(19,20)30(24,25)26;1-6(2)11(18)22-10-5-7-3-8(10)4-9(7)12(14,15)13(16,17)23(19,20)21;1-6(2)7(14)18-5-3-4-8(10,11)9(12,13)19(15,16)17;1-5(2)6(11)16-3-4-17-7(12)8(9,10)18(13,14)15/h4*1-15H;6-11H,1,3-4H2,2H3,(H,24,25,26);7-10H,1,3-5H2,2H3,(H,19,20,21);1,3-5H2,2H3,(H,15,16,17);1,3-4H2,2H3,(H,13,14,15)/q4*+1;;;;/p-4.

What are the key properties of 1,1-difluoro-2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(2-methylprop-2-enoyloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-3-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentane-1-sulfonate;tetrakis(triphenylsulfanium)?

1,1-difluoro-2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(2-methylprop-2-enoyloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-3-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentane-1-sulfonate;tetrakis(triphenylsulfanium) has a molecular weight of 2466.66 g/mol, XLogP of 23.47, 37 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-difluoro-2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(2-methylprop-2-enoyloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-3-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentane-1-sulfonate;tetrakis(triphenylsulfanium) is sourced from PubChem (CID 157069551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).