1,1-difluoro-2-(2-fluoroprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-prop-2-enoyloxyethanesulfonate;1,1-difluoro-2-[2-(trifluoromethyl)prop-2-enoyloxy]ethanesulfonate;1,1,3,3,3-pentafluoro-2-[2-(3-methyl-2-oxobut-3-enyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;bis(10-phenylphenoxathiin-10-ium);tetrakis(triphenylsulfanium)

C165H142F22O37S12 — CID 158284969

About 1,1-difluoro-2-(2-fluoroprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-prop-2-enoyloxyethanesulfonate;1,1-difluoro-2-[2-(trifluoromethyl)prop-2-enoyloxy]ethanesulfonate;1,1,3,3,3-pentafluoro-2-[2-(3-methyl-2-oxobut-3-enyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;bis(10-phenylphenoxathiin-10-ium);tetrakis(triphenylsulfanium)

1,1-difluoro-2-(2-fluoroprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-prop-2-enoyloxyethanesulfonate;1,1-difluoro-2-[2-(trifluoromethyl)prop-2-enoyloxy]ethanesulfonate;1,1,3,3,3-pentafluoro-2-[2-(3-methyl-2-oxobut-3-enyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;bis(10-phenylphenoxathiin-10-ium);tetrakis(triphenylsulfanium) (PubChem CID 158284969) has the molecular formula C165H142F22O37S12 and a molecular weight of 3519.67 g/mol. Its IUPAC name is 1,1-difluoro-2-(2-fluoroprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-prop-2-enoyloxyethanesulfonate;1,1-difluoro-2-[2-(trifluoromethyl)prop-2-enoyloxy]ethanesulfonate;1,1,3,3,3-pentafluoro-2-[2-(3-methyl-2-oxobut-3-enyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;bis(10-phenylphenoxathiin-10-ium);tetrakis(triphenylsulfanium).

Molecular Properties

• Compound Name: 1,1-difluoro-2-(2-fluoroprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-prop-2-enoyloxyethanesulfonate;1,1-difluoro-2-[2-(trifluoromethyl)prop-2-enoyloxy]ethanesulfonate;1,1,3,3,3-pentafluoro-2-[2-(3-methyl-2-oxobut-3-enyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;bis(10-phenylphenoxathiin-10-ium);tetrakis(triphenylsulfanium)
• PubChem CID: 158284969
• Molecular Formula: C165H142F22O37S12
• Molecular Weight: 3519.67 g/mol
• Exact Mass: 3516.55
• IUPAC Name: 1,1-difluoro-2-(2-fluoroprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-prop-2-enoyloxyethanesulfonate;1,1-difluoro-2-[2-(trifluoromethyl)prop-2-enoyloxy]ethanesulfonate;1,1,3,3,3-pentafluoro-2-[2-(3-methyl-2-oxobut-3-enyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;bis(10-phenylphenoxathiin-10-ium);tetrakis(triphenylsulfanium)
• SMILES: C=C(C(=O)OCC(F)(F)S(=O)(=O)[O-])C(F)(F)F.C=C(C)C(=O)CC1C2CC3C1OC(=O)C3C2C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].C=C(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])(C3)C2.C=C(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].C=C(F)C(=O)OCC(F)(F)S(=O)(=O)[O-].C=CC(=O)OCC(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.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1
• InChI: InChI=1S/C18H21F5O7S.2C18H13OS.4C18H15S.C17H17F5O8S.C6H5F5O5S.C6H8F2O5S.C5H5F3O5S.C5H6F2O5S/c1-9(2)12(24)30-16-6-10-3-11(7-16)5-15(4-10,8-16)14(25)29-13(17(19,20)21)18(22,23)31(26,27)28;2*1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;4*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)9(23)4-7-6-3-8-11(13(24)29-12(7)8)10(6)14(25)30-15(16(18,19)20)17(21,22)31(26,27)28;1-3(6(9,10)11)4(12)16-2-5(7,8)17(13,14)15;1-4(2)5(9)13-3-6(7,8)14(10,11)12;1-3(6)4(9)13-2-5(7,8)14(10,11)12;1-2-4(8)12-3-5(6,7)13(9,10)11/h10-11,13H,1,3-8H2,2H3,(H,26,27,28);2*1-13H;4*1-15H;6-8,10-12,15H,1,3-4H2,2H3,(H,26,27,28);1-2H2,(H,13,14,15);1,3H2,2H3,(H,10,11,12);1-2H2,(H,10,11,12);2H,1,3H2,(H,9,10,11)/q;6*+1;;;;;/p-6
• InChIKey: GKQZMGHTYVEWKE-UHFFFAOYSA-H
• XLogP: 34.55
• TPSA: 589.13 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 43
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3519.67
LogP ≤ 5	34.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-(2-fluoroprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-prop-2-enoyloxyethanesulfonate;1,1-difluoro-2-[2-(trifluoromethyl)prop-2-enoyloxy]ethanesulfonate;1,1,3,3,3-pentafluoro-2-[2-(3-methyl-2-oxobut-3-enyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;bis(10-phenylphenoxathiin-10-ium);tetrakis(triphenylsulfanium)?

The IUPAC name of 1,1-difluoro-2-(2-fluoroprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-prop-2-enoyloxyethanesulfonate;1,1-difluoro-2-[2-(trifluoromethyl)prop-2-enoyloxy]ethanesulfonate;1,1,3,3,3-pentafluoro-2-[2-(3-methyl-2-oxobut-3-enyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;bis(10-phenylphenoxathiin-10-ium);tetrakis(triphenylsulfanium) (CID 158284969) is 1,1-difluoro-2-(2-fluoroprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-prop-2-enoyloxyethanesulfonate;1,1-difluoro-2-[2-(trifluoromethyl)prop-2-enoyloxy]ethanesulfonate;1,1,3,3,3-pentafluoro-2-[2-(3-methyl-2-oxobut-3-enyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;bis(10-phenylphenoxathiin-10-ium);tetrakis(triphenylsulfanium).

What is the SMILES notation for 1,1-difluoro-2-(2-fluoroprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-prop-2-enoyloxyethanesulfonate;1,1-difluoro-2-[2-(trifluoromethyl)prop-2-enoyloxy]ethanesulfonate;1,1,3,3,3-pentafluoro-2-[2-(3-methyl-2-oxobut-3-enyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;bis(10-phenylphenoxathiin-10-ium);tetrakis(triphenylsulfanium)?

The canonical SMILES for 1,1-difluoro-2-(2-fluoroprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-prop-2-enoyloxyethanesulfonate;1,1-difluoro-2-[2-(trifluoromethyl)prop-2-enoyloxy]ethanesulfonate;1,1,3,3,3-pentafluoro-2-[2-(3-methyl-2-oxobut-3-enyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;bis(10-phenylphenoxathiin-10-ium);tetrakis(triphenylsulfanium) is C=C(C(=O)OCC(F)(F)S(=O)(=O)[O-])C(F)(F)F.C=C(C)C(=O)CC1C2CC3C1OC(=O)C3C2C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].C=C(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])(C3)C2.C=C(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].C=C(F)C(=O)OCC(F)(F)S(=O)(=O)[O-].C=CC(=O)OCC(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.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.

What is the InChIKey of 1,1-difluoro-2-(2-fluoroprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-prop-2-enoyloxyethanesulfonate;1,1-difluoro-2-[2-(trifluoromethyl)prop-2-enoyloxy]ethanesulfonate;1,1,3,3,3-pentafluoro-2-[2-(3-methyl-2-oxobut-3-enyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;bis(10-phenylphenoxathiin-10-ium);tetrakis(triphenylsulfanium)?

The InChIKey is GKQZMGHTYVEWKE-UHFFFAOYSA-H. The full InChI is InChI=1S/C18H21F5O7S.2C18H13OS.4C18H15S.C17H17F5O8S.C6H5F5O5S.C6H8F2O5S.C5H5F3O5S.C5H6F2O5S/c1-9(2)12(24)30-16-6-10-3-11(7-16)5-15(4-10,8-16)14(25)29-13(17(19,20)21)18(22,23)31(26,27)28;2*1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;4*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)9(23)4-7-6-3-8-11(13(24)29-12(7)8)10(6)14(25)30-15(16(18,19)20)17(21,22)31(26,27)28;1-3(6(9,10)11)4(12)16-2-5(7,8)17(13,14)15;1-4(2)5(9)13-3-6(7,8)14(10,11)12;1-3(6)4(9)13-2-5(7,8)14(10,11)12;1-2-4(8)12-3-5(6,7)13(9,10)11/h10-11,13H,1,3-8H2,2H3,(H,26,27,28);2*1-13H;4*1-15H;6-8,10-12,15H,1,3-4H2,2H3,(H,26,27,28);1-2H2,(H,13,14,15);1,3H2,2H3,(H,10,11,12);1-2H2,(H,10,11,12);2H,1,3H2,(H,9,10,11)/q;6*+1;;;;;/p-6.

What are the key properties of 1,1-difluoro-2-(2-fluoroprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-prop-2-enoyloxyethanesulfonate;1,1-difluoro-2-[2-(trifluoromethyl)prop-2-enoyloxy]ethanesulfonate;1,1,3,3,3-pentafluoro-2-[2-(3-methyl-2-oxobut-3-enyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;bis(10-phenylphenoxathiin-10-ium);tetrakis(triphenylsulfanium)?

1,1-difluoro-2-(2-fluoroprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-prop-2-enoyloxyethanesulfonate;1,1-difluoro-2-[2-(trifluoromethyl)prop-2-enoyloxy]ethanesulfonate;1,1,3,3,3-pentafluoro-2-[2-(3-methyl-2-oxobut-3-enyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;bis(10-phenylphenoxathiin-10-ium);tetrakis(triphenylsulfanium) has a molecular weight of 3519.67 g/mol, XLogP of 34.55, 43 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-difluoro-2-(2-fluoroprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate;1,1-difluoro-2-prop-2-enoyloxyethanesulfonate;1,1-difluoro-2-[2-(trifluoromethyl)prop-2-enoyloxy]ethanesulfonate;1,1,3,3,3-pentafluoro-2-[2-(3-methyl-2-oxobut-3-enyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;bis(10-phenylphenoxathiin-10-ium);tetrakis(triphenylsulfanium) is sourced from PubChem (CID 158284969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).