1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate

C10F22O5S2 — CID 54386350

IUPAC1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate
SMILESO=S(=O)(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10F22O5S2/c11-1(12,3(15,16)7(23,24)25)5(19,20)9(29,30)38(33,34)37-39(35,36)10(31,32)6(21,22)2(13,14)4(17,18)8(26,27)28
InChIKeyVDMZJPOIYCDSDW-UHFFFAOYSA-N
MW682.19 g/mol
LogP5.78
Rot. Bonds10

About 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate

1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate (PubChem CID 54386350) has the molecular formula C10F22O5S2 and a molecular weight of 682.19 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate
PubChem CID54386350
Molecular FormulaC10F22O5S2
Molecular Weight682.19 g/mol
Exact Mass681.88
IUPAC Name1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate
SMILESO=S(=O)(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10F22O5S2/c11-1(12,3(15,16)7(23,24)25)5(19,20)9(29,30)38(33,34)37-39(35,36)10(31,32)6(21,22)2(13,14)4(17,18)8(26,27)28
InChIKeyVDMZJPOIYCDSDW-UHFFFAOYSA-N
XLogP5.78
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.19
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate with MolForge

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Related Compounds

1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic anhydride
CID 4281883
Zinc perfluorohexanesulfinate
CID 135315333
Magnesium nonafluorobutanesulfonate
CID 2778351
1,1,2,3,3,3-Hexafluoro-2-(trifluoromethyl)propane-1-sulphonic anhydride
CID 44150164
Perfluorooctane sulfonic anhydride
CID 54444622
1,1,2,2,3,3,4,4-Octafluorobutane-1-sulphonic anhydride
CID 44147016
1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-N-((perfluorohexyl)sulfonyl)hexane-1-sulfonamide
CID 10898051
Perfluorodecane sulfonic anhydride
CID 53835826
Perfluoroheptane sulfonic anhydride
CID 54178575
Perfluorohexane sulfonic anhydride
CID 87205372
1,1,2,2,3,3,4,4,5,5,5-Undecafluoro-N-((perfluoropentyl)sulfonyl)pentane-1-sulfonamide
CID 88203921
Gallium(3+) tris(tridecafluorohexane-1-sulfonate)
CID 22604717

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate (CID 54386350) is 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate is O=S(=O)(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate?
The InChIKey is VDMZJPOIYCDSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F22O5S2/c11-1(12,3(15,16)7(23,24)25)5(19,20)9(29,30)38(33,34)37-39(35,36)10(31,32)6(21,22)2(13,14)4(17,18)8(26,27)28.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate?
1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate has a molecular weight of 682.19 g/mol, XLogP of 5.78, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate is sourced from PubChem (CID 54386350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).