1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(2-methylprop-2-enoyloxy)cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]propane-1-sulfonate;tris(triphenylsulfanium)

C105H99F20O28S7- — CID 157291913

IUPAC1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(2-methylprop-2-enoyloxy)cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]propane-1-sulfonate;tris(triphenylsulfanium)
SMILESC=C(C)C(=O)OC12CC3CC(C1)C(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C(C3)C2.C=C(C)C(=O)OC1CCC(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])CC1.C=C(C)C(=O)OCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].C=C(C)C(=O)OCCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H21F5O7S.3C18H15S.C14H17F5O7S.C10H11F5O7S.C9H9F5O7S/c1-8(2)13(24)30-16-5-9-3-10(6-16)12(11(4-9)7-16)14(25)29-15(17(19,20)21)18(22,23)31(26,27)28;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7(2)10(20)25-9-5-3-8(4-6-9)11(21)26-12(13(15,16)17)14(18,19)27(22,23)24;1-5(2)7(17)21-4-3-6(16)22-8(9(11,12)13)10(14,15)23(18,19)20;1-4(2)6(16)20-3-5(15)21-7(8(10,11)12)9(13,14)22(17,18)19/h9-12,15H,1,3-7H2,2H3,(H,26,27,28);3*1-15H;8-9,12H,1,3-6H2,2H3,(H,22,23,24);8H,1,3-4H2,2H3,(H,18,19,20);7H,1,3H2,2H3,(H,17,18,19)/q;3*+1;;;/p-4
InChIKeyBAXGBSQKMZRXEO-UHFFFAOYSA-J
MW2413.35 g/mol
LogP21.36
Rot. Bonds34

About 1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(2-methylprop-2-enoyloxy)cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]propane-1-sulfonate;tris(triphenylsulfanium)

1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(2-methylprop-2-enoyloxy)cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]propane-1-sulfonate;tris(triphenylsulfanium) (PubChem CID 157291913) has the molecular formula C105H99F20O28S7- and a molecular weight of 2413.35 g/mol. Its IUPAC name is 1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(2-methylprop-2-enoyloxy)cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]propane-1-sulfonate;tris(triphenylsulfanium).

Molecular Properties

Compound Name1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(2-methylprop-2-enoyloxy)cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]propane-1-sulfonate;tris(triphenylsulfanium)
PubChem CID157291913
Molecular FormulaC105H99F20O28S7-
Molecular Weight2413.35 g/mol
Exact Mass2411.41
IUPAC Name1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(2-methylprop-2-enoyloxy)cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]propane-1-sulfonate;tris(triphenylsulfanium)
SMILESC=C(C)C(=O)OC12CC3CC(C1)C(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C(C3)C2.C=C(C)C(=O)OC1CCC(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])CC1.C=C(C)C(=O)OCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].C=C(C)C(=O)OCCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H21F5O7S.3C18H15S.C14H17F5O7S.C10H11F5O7S.C9H9F5O7S/c1-8(2)13(24)30-16-5-9-3-10(6-16)12(11(4-9)7-16)14(25)29-15(17(19,20)21)18(22,23)31(26,27)28;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7(2)10(20)25-9-5-3-8(4-6-9)11(21)26-12(13(15,16)17)14(18,19)27(22,23)24;1-5(2)7(17)21-4-3-6(16)22-8(9(11,12)13)10(14,15)23(18,19)20;1-4(2)6(16)20-3-5(15)21-7(8(10,11)12)9(13,14)22(17,18)19/h9-12,15H,1,3-7H2,2H3,(H,26,27,28);3*1-15H;8-9,12H,1,3-6H2,2H3,(H,22,23,24);8H,1,3-4H2,2H3,(H,18,19,20);7H,1,3H2,2H3,(H,17,18,19)/q;3*+1;;;/p-4
InChIKeyBAXGBSQKMZRXEO-UHFFFAOYSA-J
XLogP21.36
TPSA439.20 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds34
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002413.35
LogP ≤ 521.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

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'}

Analyze 1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(2-methylprop-2-enoyloxy)cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]propane-1-sulfonate;tris(triphenylsulfanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(2-methylprop-2-enoyloxy)cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]propane-1-sulfonate;tris(triphenylsulfanium)?
The IUPAC name of 1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(2-methylprop-2-enoyloxy)cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]propane-1-sulfonate;tris(triphenylsulfanium) (CID 157291913) is 1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(2-methylprop-2-enoyloxy)cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]propane-1-sulfonate;tris(triphenylsulfanium).
What is the SMILES notation for 1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(2-methylprop-2-enoyloxy)cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]propane-1-sulfonate;tris(triphenylsulfanium)?
The canonical SMILES for 1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(2-methylprop-2-enoyloxy)cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]propane-1-sulfonate;tris(triphenylsulfanium) is C=C(C)C(=O)OC12CC3CC(C1)C(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C(C3)C2.C=C(C)C(=O)OC1CCC(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])CC1.C=C(C)C(=O)OCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].C=C(C)C(=O)OCCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(2-methylprop-2-enoyloxy)cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]propane-1-sulfonate;tris(triphenylsulfanium)?
The InChIKey is BAXGBSQKMZRXEO-UHFFFAOYSA-J. The full InChI is InChI=1S/C18H21F5O7S.3C18H15S.C14H17F5O7S.C10H11F5O7S.C9H9F5O7S/c1-8(2)13(24)30-16-5-9-3-10(6-16)12(11(4-9)7-16)14(25)29-15(17(19,20)21)18(22,23)31(26,27)28;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7(2)10(20)25-9-5-3-8(4-6-9)11(21)26-12(13(15,16)17)14(18,19)27(22,23)24;1-5(2)7(17)21-4-3-6(16)22-8(9(11,12)13)10(14,15)23(18,19)20;1-4(2)6(16)20-3-5(15)21-7(8(10,11)12)9(13,14)22(17,18)19/h9-12,15H,1,3-7H2,2H3,(H,26,27,28);3*1-15H;8-9,12H,1,3-6H2,2H3,(H,22,23,24);8H,1,3-4H2,2H3,(H,18,19,20);7H,1,3H2,2H3,(H,17,18,19)/q;3*+1;;;/p-4.
What are the key properties of 1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(2-methylprop-2-enoyloxy)cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]propane-1-sulfonate;tris(triphenylsulfanium)?
1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(2-methylprop-2-enoyloxy)cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]propane-1-sulfonate;tris(triphenylsulfanium) has a molecular weight of 2413.35 g/mol, XLogP of 21.36, 34 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(2-methylprop-2-enoyloxy)cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]propane-1-sulfonate;tris(triphenylsulfanium) is sourced from PubChem (CID 157291913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).