2-[4-(2,2-difluoropropoxy)butoxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butanoyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyloxy)butoxycarbonyloxy]propane-1-sulfonate;octakis(triphenylsulfanium)

C188H168F34O27S12+4 — CID 162048379

IUPAC2-[4-(2,2-difluoropropoxy)butoxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butanoyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyloxy)butoxycarbonyloxy]propane-1-sulfonate;octakis(triphenylsulfanium)
SMILESCC(F)(F)C(OC(=O)CCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C(F)(F)F.CC(F)(F)C(OC(=O)CCCOC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C(F)(F)F.CC(F)(F)C(OC(=O)OCCCCOC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C(F)(F)F.CC(F)(F)COCCCCOCC(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+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/8C18H15S.C13H14F10O9S.C11H10F10O7S.C11H12F10O6S.C9H16F4O5S/c8*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(14,15)6(11(16,17)18)31-8(24)29-4-2-3-5-30-9(25)32-7(12(19,20)21)13(22,23)33(26,27)28;1-8(12,13)6(9(14,15)16)27-4(22)2-3-5(23)28-7(10(17,18)19)11(20,21)29(24,25)26;1-8(12,13)6(9(14,15)16)27-5(22)3-2-4-26-7(10(17,18)19)11(20,21)28(23,24)25;1-8(10,11)6-17-4-2-3-5-18-7-9(12,13)19(14,15)16/h8*1-15H;6-7H,2-5H2,1H3,(H,26,27,28);6-7H,2-3H2,1H3,(H,24,25,26);6-7H,2-4H2,1H3,(H,23,24,25);2-7H2,1H3,(H,14,15,16)/q8*+1;;;;/p-4
InChIKeyYYFFRGBNUDLQHP-UHFFFAOYSA-J
MW3890.12 g/mol
LogP49.07
Rot. Bonds61

About 2-[4-(2,2-difluoropropoxy)butoxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butanoyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyloxy)butoxycarbonyloxy]propane-1-sulfonate;octakis(triphenylsulfanium)

2-[4-(2,2-difluoropropoxy)butoxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butanoyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyloxy)butoxycarbonyloxy]propane-1-sulfonate;octakis(triphenylsulfanium) (PubChem CID 162048379) has the molecular formula C188H168F34O27S12+4 and a molecular weight of 3890.12 g/mol. Its IUPAC name is 2-[4-(2,2-difluoropropoxy)butoxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butanoyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyloxy)butoxycarbonyloxy]propane-1-sulfonate;octakis(triphenylsulfanium).

Molecular Properties

Compound Name2-[4-(2,2-difluoropropoxy)butoxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butanoyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyloxy)butoxycarbonyloxy]propane-1-sulfonate;octakis(triphenylsulfanium)
PubChem CID162048379
Molecular FormulaC188H168F34O27S12+4
Molecular Weight3890.12 g/mol
Exact Mass3886.79
IUPAC Name2-[4-(2,2-difluoropropoxy)butoxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butanoyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyloxy)butoxycarbonyloxy]propane-1-sulfonate;octakis(triphenylsulfanium)
SMILESCC(F)(F)C(OC(=O)CCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C(F)(F)F.CC(F)(F)C(OC(=O)CCCOC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C(F)(F)F.CC(F)(F)C(OC(=O)OCCCCOC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C(F)(F)F.CC(F)(F)COCCCCOCC(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+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/8C18H15S.C13H14F10O9S.C11H10F10O7S.C11H12F10O6S.C9H16F4O5S/c8*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(14,15)6(11(16,17)18)31-8(24)29-4-2-3-5-30-9(25)32-7(12(19,20)21)13(22,23)33(26,27)28;1-8(12,13)6(9(14,15)16)27-4(22)2-3-5(23)28-7(10(17,18)19)11(20,21)29(24,25)26;1-8(12,13)6(9(14,15)16)27-5(22)3-2-4-26-7(10(17,18)19)11(20,21)28(23,24)25;1-8(10,11)6-17-4-2-3-5-18-7-9(12,13)19(14,15)16/h8*1-15H;6-7H,2-5H2,1H3,(H,26,27,28);6-7H,2-3H2,1H3,(H,24,25,26);6-7H,2-4H2,1H3,(H,23,24,25);2-7H2,1H3,(H,14,15,16)/q8*+1;;;;/p-4
InChIKeyYYFFRGBNUDLQHP-UHFFFAOYSA-J
XLogP49.07
TPSA406.45 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds61
Heavy Atoms261
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003890.12
LogP ≤ 549.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

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 2-[4-(2,2-difluoropropoxy)butoxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butanoyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyloxy)butoxycarbonyloxy]propane-1-sulfonate;octakis(triphenylsulfanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoropropoxy)butoxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butanoyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyloxy)butoxycarbonyloxy]propane-1-sulfonate;octakis(triphenylsulfanium)?
The IUPAC name of 2-[4-(2,2-difluoropropoxy)butoxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butanoyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyloxy)butoxycarbonyloxy]propane-1-sulfonate;octakis(triphenylsulfanium) (CID 162048379) is 2-[4-(2,2-difluoropropoxy)butoxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butanoyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyloxy)butoxycarbonyloxy]propane-1-sulfonate;octakis(triphenylsulfanium).
What is the SMILES notation for 2-[4-(2,2-difluoropropoxy)butoxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butanoyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyloxy)butoxycarbonyloxy]propane-1-sulfonate;octakis(triphenylsulfanium)?
The canonical SMILES for 2-[4-(2,2-difluoropropoxy)butoxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butanoyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyloxy)butoxycarbonyloxy]propane-1-sulfonate;octakis(triphenylsulfanium) is CC(F)(F)C(OC(=O)CCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C(F)(F)F.CC(F)(F)C(OC(=O)CCCOC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C(F)(F)F.CC(F)(F)C(OC(=O)OCCCCOC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C(F)(F)F.CC(F)(F)COCCCCOCC(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+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(2,2-difluoropropoxy)butoxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butanoyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyloxy)butoxycarbonyloxy]propane-1-sulfonate;octakis(triphenylsulfanium)?
The InChIKey is YYFFRGBNUDLQHP-UHFFFAOYSA-J. The full InChI is InChI=1S/8C18H15S.C13H14F10O9S.C11H10F10O7S.C11H12F10O6S.C9H16F4O5S/c8*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(14,15)6(11(16,17)18)31-8(24)29-4-2-3-5-30-9(25)32-7(12(19,20)21)13(22,23)33(26,27)28;1-8(12,13)6(9(14,15)16)27-4(22)2-3-5(23)28-7(10(17,18)19)11(20,21)29(24,25)26;1-8(12,13)6(9(14,15)16)27-5(22)3-2-4-26-7(10(17,18)19)11(20,21)28(23,24)25;1-8(10,11)6-17-4-2-3-5-18-7-9(12,13)19(14,15)16/h8*1-15H;6-7H,2-5H2,1H3,(H,26,27,28);6-7H,2-3H2,1H3,(H,24,25,26);6-7H,2-4H2,1H3,(H,23,24,25);2-7H2,1H3,(H,14,15,16)/q8*+1;;;;/p-4.
What are the key properties of 2-[4-(2,2-difluoropropoxy)butoxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butanoyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyloxy)butoxycarbonyloxy]propane-1-sulfonate;octakis(triphenylsulfanium)?
2-[4-(2,2-difluoropropoxy)butoxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butanoyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyloxy)butoxycarbonyloxy]propane-1-sulfonate;octakis(triphenylsulfanium) has a molecular weight of 3890.12 g/mol, XLogP of 49.07, 61 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoropropoxy)butoxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butanoyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyloxy)butoxycarbonyloxy]propane-1-sulfonate;octakis(triphenylsulfanium) is sourced from PubChem (CID 162048379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).