1,1,2-trifluoro-2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid

C2H2F8O3S2 — CID 14508344

IUPAC1,1,2-trifluoro-2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)S(F)(F)(F)(F)F
InChIInChI=1S/C2H2F8O3S2/c3-1(15(6,7,8,9)10)2(4,5)14(11,12)13/h1H,(H,11,12,13)
InChIKeyGWDDSOCBZJODEV-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.06
Rot. Bonds3

About 1,1,2-trifluoro-2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid

1,1,2-trifluoro-2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid (PubChem CID 14508344) has the molecular formula C2H2F8O3S2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 1,1,2-trifluoro-2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid.

Molecular Properties

Compound Name1,1,2-trifluoro-2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid
PubChem CID14508344
Molecular FormulaC2H2F8O3S2
Molecular Weight290.15 g/mol
Exact Mass289.93
IUPAC Name1,1,2-trifluoro-2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)S(F)(F)(F)(F)F
InChIInChI=1S/C2H2F8O3S2/c3-1(15(6,7,8,9)10)2(4,5)14(11,12)13/h1H,(H,11,12,13)
InChIKeyGWDDSOCBZJODEV-UHFFFAOYSA-N
XLogP3.06
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.06
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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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid?
The IUPAC name of 1,1,2-trifluoro-2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid (CID 14508344) is 1,1,2-trifluoro-2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid.
What is the SMILES notation for 1,1,2-trifluoro-2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid?
The canonical SMILES for 1,1,2-trifluoro-2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid is O=S(=O)(O)C(F)(F)C(F)S(F)(F)(F)(F)F.
What is the InChIKey of 1,1,2-trifluoro-2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid?
The InChIKey is GWDDSOCBZJODEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F8O3S2/c3-1(15(6,7,8,9)10)2(4,5)14(11,12)13/h1H,(H,11,12,13).
What are the key properties of 1,1,2-trifluoro-2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid?
1,1,2-trifluoro-2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid has a molecular weight of 290.15 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-2-(pentafluoro-lambda6-sulfanyl)ethanesulfonic acid is sourced from PubChem (CID 14508344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).