1-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid

C2H5F5O3S2 — CID 87375088

IUPAC1-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid
SMILESCC(S(=O)(=O)O)S(F)(F)(F)(F)F
InChIInChI=1S/C2H5F5O3S2/c1-2(11(8,9)10)12(3,4,5,6)7/h2H,1H3,(H,8,9,10)
InChIKeyGNAUNIXROXXFIC-UHFFFAOYSA-N
MW236.18 g/mol
LogP2.52
Rot. Bonds2

About 1-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid

1-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid (PubChem CID 87375088) has the molecular formula C2H5F5O3S2 and a molecular weight of 236.18 g/mol. Its IUPAC name is 1-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid.

Molecular Properties

Compound Name1-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid
PubChem CID87375088
Molecular FormulaC2H5F5O3S2
Molecular Weight236.18 g/mol
Exact Mass235.96
IUPAC Name1-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid
SMILESCC(S(=O)(=O)O)S(F)(F)(F)(F)F
InChIInChI=1S/C2H5F5O3S2/c1-2(11(8,9)10)12(3,4,5,6)7/h2H,1H3,(H,8,9,10)
InChIKeyGNAUNIXROXXFIC-UHFFFAOYSA-N
XLogP2.52
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Pentafluoro-lambda6-sulfanyl)ethanesulfonic acid
CID 14508339
1,1,2-Trifluoro-2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid
CID 14508344
1,1-Difluoro-2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid
CID 14508342
(Pentafluoro-lambda6-sulfanyl) ethanesulfonate
CID 140567014
Propane-1-sulfonic acid;heptahydrofluoride
CID 158607629
Ethanesulfonic acid;pentahydrofluoride
CID 172724432
Ethanesulfonic acid;tetrafluoromethane
CID 174391357
Ethanesulfonic acid;hexahydrofluoride
CID 174503180
Ethanesulfonic acid;pentahydrofluoride;hydroiodide
CID 174676676

Frequently Asked Questions

What is the IUPAC name of 1-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid?
The IUPAC name of 1-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid (CID 87375088) is 1-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid.
What is the SMILES notation for 1-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid?
The canonical SMILES for 1-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid is CC(S(=O)(=O)O)S(F)(F)(F)(F)F.
What is the InChIKey of 1-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid?
The InChIKey is GNAUNIXROXXFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F5O3S2/c1-2(11(8,9)10)12(3,4,5,6)7/h2H,1H3,(H,8,9,10).
What are the key properties of 1-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid?
1-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid has a molecular weight of 236.18 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid is sourced from PubChem (CID 87375088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).