1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonate

C5F10O6S2-2 — CID 58716100

IUPAC1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-]
InChIInChI=1S/C5H2F10O6S2/c6-1(7,2(8,9)4(12,13)22(16,17)18)3(10,11)5(14,15)23(19,20)21/h(H,16,17,18)(H,19,20,21)/p-2
InChIKeySGSGRSWCXGZGRZ-UHFFFAOYSA-L
MW410.16 g/mol
LogP1.17
Rot. Bonds6

About 1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonate

1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonate (PubChem CID 58716100) has the molecular formula C5F10O6S2-2 and a molecular weight of 410.16 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonate.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonate
PubChem CID58716100
Molecular FormulaC5F10O6S2-2
Molecular Weight410.16 g/mol
Exact Mass409.90
IUPAC Name1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-]
InChIInChI=1S/C5H2F10O6S2/c6-1(7,2(8,9)4(12,13)22(16,17)18)3(10,11)5(14,15)23(19,20)21/h(H,16,17,18)(H,19,20,21)/p-2
InChIKeySGSGRSWCXGZGRZ-UHFFFAOYSA-L
XLogP1.17
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.16
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane-1,8-disulfonate
CID 58716102
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-pentatriacontafluoroheptadecane-1-sulfonate
CID 23533140
sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 23671708
sulfanium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 22023912
mercury(2+);bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate)
CID 22604479
bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);lead(2+)
CID 88695322
cesium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 87123612
sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro(113C)hexane-1-sulfonate
CID 169446237
tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);iron(3+)
CID 173403862
silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
CID 88642392
bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);mercury(2+)
CID 22604813
bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium
CID 162115807

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonate?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonate (CID 58716100) is 1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonate.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonate?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonate is O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-].
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonate?
The InChIKey is SGSGRSWCXGZGRZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H2F10O6S2/c6-1(7,2(8,9)4(12,13)22(16,17)18)3(10,11)5(14,15)23(19,20)21/h(H,16,17,18)(H,19,20,21)/p-2.
What are the key properties of 1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonate?
1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonate has a molecular weight of 410.16 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonate is sourced from PubChem (CID 58716100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).