2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonate

C5H3F8O3S- — CID 150824524

IUPAC2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonate
SMILESCC(F)(C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)[O-]
InChIInChI=1S/C5H4F8O3S/c1-2(6,17(14,15)16)3(7,8)4(9,10)5(11,12)13/h1H3,(H,14,15,16)/p-1
InChIKeyKKQDSOXBONFBSU-UHFFFAOYSA-M
MW295.13 g/mol
LogP2.05
Rot. Bonds3

About 2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonate

2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonate (PubChem CID 150824524) has the molecular formula C5H3F8O3S- and a molecular weight of 295.13 g/mol. Its IUPAC name is 2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonate.

Molecular Properties

Compound Name2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonate
PubChem CID150824524
Molecular FormulaC5H3F8O3S-
Molecular Weight295.13 g/mol
Exact Mass294.97
IUPAC Name2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonate
SMILESCC(F)(C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)[O-]
InChIInChI=1S/C5H4F8O3S/c1-2(6,17(14,15)16)3(7,8)4(9,10)5(11,12)13/h1H3,(H,14,15,16)/p-1
InChIKeyKKQDSOXBONFBSU-UHFFFAOYSA-M
XLogP2.05
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-pentatriacontafluoroheptadecane-1-sulfonate
CID 23533140
1,1,1-trifluoro-2-methylpropane-2-sulfonate
CID 159704009
silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
CID 88642392
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
sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro(113C)hexane-1-sulfonate
CID 169446237
cesium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 87123612
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
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 2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonate?
The IUPAC name of 2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonate (CID 150824524) is 2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonate.
What is the SMILES notation for 2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonate?
The canonical SMILES for 2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonate is CC(F)(C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)[O-].
What is the InChIKey of 2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonate?
The InChIKey is KKQDSOXBONFBSU-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4F8O3S/c1-2(6,17(14,15)16)3(7,8)4(9,10)5(11,12)13/h1H3,(H,14,15,16)/p-1.
What are the key properties of 2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonate?
2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonate has a molecular weight of 295.13 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonate is sourced from PubChem (CID 150824524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).