2,2,3,3,4,4-hexafluorocyclopentane-1-sulfonate

C5H3F6O3S- — CID 140609706

IUPAC2,2,3,3,4,4-hexafluorocyclopentane-1-sulfonate
SMILESO=S(=O)([O-])C1CC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5H4F6O3S/c6-3(7)1-2(15(12,13)14)4(8,9)5(3,10)11/h2H,1H2,(H,12,13,14)/p-1
InChIKeyPUEADXBPBDBBOC-UHFFFAOYSA-M
MW257.13 g/mol
LogP1.21
Rot. Bonds1

About 2,2,3,3,4,4-hexafluorocyclopentane-1-sulfonate

2,2,3,3,4,4-hexafluorocyclopentane-1-sulfonate (PubChem CID 140609706) has the molecular formula C5H3F6O3S- and a molecular weight of 257.13 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluorocyclopentane-1-sulfonate.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluorocyclopentane-1-sulfonate
PubChem CID140609706
Molecular FormulaC5H3F6O3S-
Molecular Weight257.13 g/mol
Exact Mass256.97
IUPAC Name2,2,3,3,4,4-hexafluorocyclopentane-1-sulfonate
SMILESO=S(=O)([O-])C1CC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5H4F6O3S/c6-3(7)1-2(15(12,13)14)4(8,9)5(3,10)11/h2H,1H2,(H,12,13,14)/p-1
InChIKeyPUEADXBPBDBBOC-UHFFFAOYSA-M
XLogP1.21
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.21
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-hexafluoro-4-methoxycyclopentane
CID 121234851
sodium 2,2-diaminocyclobutane-1-sulfonate
CID 88688595
1,1,2,2,3,3-hexafluoro-4-propan-2-yloxycyclopentane
CID 19911060
azanium;dioxido-oxo-sulfanylidene-λ6-sulfane;platinum
CID 159475965
dicalcium bis(dioxido-oxo-sulfanylidene-λ6-sulfane)
CID 158989615
diazanium;dioxido-oxo-sulfanylidene-λ6-sulfane
CID 6096946
tetraazanium;octakis(oxygen(2-));platinum;dodecasulfate
CID 139047237
octaazanium;tetrasulfate
CID 86742620
azanium sulfate
CID 21225610
dicalcium;sulfate
CID 23431966
molybdenum trisulfate
CID 23513550
azanium;lithium;sulfate
CID 139045804

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexafluorocyclopentane-1-sulfonate?
The IUPAC name of 2,2,3,3,4,4-hexafluorocyclopentane-1-sulfonate (CID 140609706) is 2,2,3,3,4,4-hexafluorocyclopentane-1-sulfonate.
What is the SMILES notation for 2,2,3,3,4,4-hexafluorocyclopentane-1-sulfonate?
The canonical SMILES for 2,2,3,3,4,4-hexafluorocyclopentane-1-sulfonate is O=S(=O)([O-])C1CC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4-hexafluorocyclopentane-1-sulfonate?
The InChIKey is PUEADXBPBDBBOC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4F6O3S/c6-3(7)1-2(15(12,13)14)4(8,9)5(3,10)11/h2H,1H2,(H,12,13,14)/p-1.
What are the key properties of 2,2,3,3,4,4-hexafluorocyclopentane-1-sulfonate?
2,2,3,3,4,4-hexafluorocyclopentane-1-sulfonate has a molecular weight of 257.13 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexafluorocyclopentane-1-sulfonate is sourced from PubChem (CID 140609706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).