2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid

C2H5F5O3S2 — CID 14508339

IUPAC2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid
SMILESO=S(=O)(O)CCS(F)(F)(F)(F)F
InChIInChI=1S/C2H5F5O3S2/c3-12(4,5,6,7)2-1-11(8,9)10/h1-2H2,(H,8,9,10)
InChIKeyMDTWTFBFGAHVKY-UHFFFAOYSA-N
MW236.18 g/mol
LogP2.17
Rot. Bonds3

About 2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid

2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid (PubChem CID 14508339) has the molecular formula C2H5F5O3S2 and a molecular weight of 236.18 g/mol. Its IUPAC name is 2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid.

Molecular Properties

Compound Name2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid
PubChem CID14508339
Molecular FormulaC2H5F5O3S2
Molecular Weight236.18 g/mol
Exact Mass235.96
IUPAC Name2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid
SMILESO=S(=O)(O)CCS(F)(F)(F)(F)F
InChIInChI=1S/C2H5F5O3S2/c3-12(4,5,6,7)2-1-11(8,9)10/h1-2H2,(H,8,9,10)
InChIKeyMDTWTFBFGAHVKY-UHFFFAOYSA-N
XLogP2.17
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,2-Trifluoro-2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid
CID 14508344
1,1-Difluoro-2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid
CID 14508342
1-(Pentafluoro-lambda6-sulfanyl)ethanesulfonic acid
CID 87375088
2-Fluorosulfonylethyl thiohypofluorite
CID 117849149
(Pentafluoro-lambda6-sulfanyl) ethanesulfonate
CID 140567014
2-Fluorosulfonylethanesulfonic acid
CID 137701371
2-Fluorosulfonylethanesulfinic acid
CID 175141191
1-Bromo-2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid
CID 178081662

Frequently Asked Questions

What is the IUPAC name of 2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid?
The IUPAC name of 2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid (CID 14508339) is 2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid.
What is the SMILES notation for 2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid?
The canonical SMILES for 2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid is O=S(=O)(O)CCS(F)(F)(F)(F)F.
What is the InChIKey of 2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid?
The InChIKey is MDTWTFBFGAHVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F5O3S2/c3-12(4,5,6,7)2-1-11(8,9)10/h1-2H2,(H,8,9,10).
What are the key properties of 2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid?
2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid has a molecular weight of 236.18 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid is sourced from PubChem (CID 14508339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).