1,1,1,4,4,4-hexafluorobutane-2-sulfonate;octakis([4-(2-methylbutan-2-yl)phenyl]iodanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate

C133H150F76I8O30S8 — CID 158390890

About 1,1,1,4,4,4-hexafluorobutane-2-sulfonate;octakis([4-(2-methylbutan-2-yl)phenyl]iodanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate

1,1,1,4,4,4-hexafluorobutane-2-sulfonate;octakis([4-(2-methylbutan-2-yl)phenyl]iodanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate (PubChem CID 158390890) has the molecular formula C133H150F76I8O30S8 and a molecular weight of 4944.25 g/mol. Its IUPAC name is 1,1,1,4,4,4-hexafluorobutane-2-sulfonate;octakis([4-(2-methylbutan-2-yl)phenyl]iodanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate.

Molecular Properties

• Compound Name: 1,1,1,4,4,4-hexafluorobutane-2-sulfonate;octakis([4-(2-methylbutan-2-yl)phenyl]iodanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate
• PubChem CID: 158390890
• Molecular Formula: C133H150F76I8O30S8
• Molecular Weight: 4944.25 g/mol
• Exact Mass: 4941.91
• IUPAC Name: 1,1,1,4,4,4-hexafluorobutane-2-sulfonate;octakis([4-(2-methylbutan-2-yl)phenyl]iodanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate
• SMILES: CC(CC(F)(F)F)S(=O)(=O)[O-].CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-].CC(F)(F)C(F)(F)OC(C)(F)C(F)(F)OC(F)(C(F)(F)F)S(=O)(=O)[O-].CCC(C)(C)c1ccc([IH+])cc1.CCC(C)(C)c1ccc([IH+])cc1.CCC(C)(C)c1ccc([IH+])cc1.CCC(C)(C)c1ccc([IH+])cc1.CCC(C)(C)c1ccc([IH+])cc1.CCC(C)(C)c1ccc([IH+])cc1.CCC(C)(C)c1ccc([IH+])cc1.CCC(C)(C)c1ccc([IH+])cc1.O=S(=O)([O-])C(CC(F)(F)F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.O=S(=O)([O-])C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.O=S(=O)([O-])CCC(F)(F)F
• InChI: InChI=1S/8C11H16I.C8HF17O5S.C8H4F14O3S.C8H7F11O5S.2C5HF11O4S.C4H4F6O3S.C4H7F3O3S.C3H5F3O3S/c8*1-4-11(2,3)9-5-7-10(12)8-6-9;9-1(10,3(12,13)14)6(21,22)29-2(11,4(15,16)17)7(23,24)30-8(25,5(18,19)20)31(26,27)28;1-2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)26(23,24)25;1-3(9,10)6(15,16)23-4(2,11)7(17,18)24-8(19,5(12,13)14)25(20,21)22;6-1(7,2(8,9)10)4(14,15)20-5(16,3(11,12)13)21(17,18)19;6-1(7,2(8,9)10)3(11,12)20-4(13,14)5(15,16)21(17,18)19;5-3(6,7)1-2(4(8,9)10)14(11,12)13;1-3(11(8,9)10)2-4(5,6)7;4-3(5,6)1-2-10(7,8)9/h8*5-8,12H,4H2,1-3H3;(H,26,27,28);1H3,(H,23,24,25);1-2H3,(H,20,21,22);2*(H,17,18,19);2H,1H2,(H,11,12,13);3H,2H2,1H3,(H,8,9,10);1-2H2,(H,7,8,9)/q8*+1;;;;;;;;/p-8
• InChIKey: GWYINUMDADZJTN-UHFFFAOYSA-F
• XLogP: 18.05
• TPSA: 512.98 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 52
• Heavy Atoms: 255
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4944.25
LogP ≤ 5	18.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4,4-hexafluorobutane-2-sulfonate;octakis([4-(2-methylbutan-2-yl)phenyl]iodanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate?

The IUPAC name of 1,1,1,4,4,4-hexafluorobutane-2-sulfonate;octakis([4-(2-methylbutan-2-yl)phenyl]iodanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate (CID 158390890) is 1,1,1,4,4,4-hexafluorobutane-2-sulfonate;octakis([4-(2-methylbutan-2-yl)phenyl]iodanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate.

What is the SMILES notation for 1,1,1,4,4,4-hexafluorobutane-2-sulfonate;octakis([4-(2-methylbutan-2-yl)phenyl]iodanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate?

The canonical SMILES for 1,1,1,4,4,4-hexafluorobutane-2-sulfonate;octakis([4-(2-methylbutan-2-yl)phenyl]iodanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate is CC(CC(F)(F)F)S(=O)(=O)[O-].CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-].CC(F)(F)C(F)(F)OC(C)(F)C(F)(F)OC(F)(C(F)(F)F)S(=O)(=O)[O-].CCC(C)(C)c1ccc([IH+])cc1.CCC(C)(C)c1ccc([IH+])cc1.CCC(C)(C)c1ccc([IH+])cc1.CCC(C)(C)c1ccc([IH+])cc1.CCC(C)(C)c1ccc([IH+])cc1.CCC(C)(C)c1ccc([IH+])cc1.CCC(C)(C)c1ccc([IH+])cc1.CCC(C)(C)c1ccc([IH+])cc1.O=S(=O)([O-])C(CC(F)(F)F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.O=S(=O)([O-])C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.O=S(=O)([O-])CCC(F)(F)F.

What is the InChIKey of 1,1,1,4,4,4-hexafluorobutane-2-sulfonate;octakis([4-(2-methylbutan-2-yl)phenyl]iodanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate?

The InChIKey is GWYINUMDADZJTN-UHFFFAOYSA-F. The full InChI is InChI=1S/8C11H16I.C8HF17O5S.C8H4F14O3S.C8H7F11O5S.2C5HF11O4S.C4H4F6O3S.C4H7F3O3S.C3H5F3O3S/c8*1-4-11(2,3)9-5-7-10(12)8-6-9;9-1(10,3(12,13)14)6(21,22)29-2(11,4(15,16)17)7(23,24)30-8(25,5(18,19)20)31(26,27)28;1-2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)26(23,24)25;1-3(9,10)6(15,16)23-4(2,11)7(17,18)24-8(19,5(12,13)14)25(20,21)22;6-1(7,2(8,9)10)4(14,15)20-5(16,3(11,12)13)21(17,18)19;6-1(7,2(8,9)10)3(11,12)20-4(13,14)5(15,16)21(17,18)19;5-3(6,7)1-2(4(8,9)10)14(11,12)13;1-3(11(8,9)10)2-4(5,6)7;4-3(5,6)1-2-10(7,8)9/h8*5-8,12H,4H2,1-3H3;(H,26,27,28);1H3,(H,23,24,25);1-2H3,(H,20,21,22);2*(H,17,18,19);2H,1H2,(H,11,12,13);3H,2H2,1H3,(H,8,9,10);1-2H2,(H,7,8,9)/q8*+1;;;;;;;;/p-8.

What are the key properties of 1,1,1,4,4,4-hexafluorobutane-2-sulfonate;octakis([4-(2-methylbutan-2-yl)phenyl]iodanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate?

1,1,1,4,4,4-hexafluorobutane-2-sulfonate;octakis([4-(2-methylbutan-2-yl)phenyl]iodanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate has a molecular weight of 4944.25 g/mol, XLogP of 18.05, 52 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,4,4,4-hexafluorobutane-2-sulfonate;octakis([4-(2-methylbutan-2-yl)phenyl]iodanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanesulfonate;1,2,2,2-tetrafluoro-1-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate is sourced from PubChem (CID 158390890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).