1,1,2,2-tetrafluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid

C2HF9O3S2 — CID 163323944

IUPAC1,1,2,2-tetrafluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)S(F)(F)(F)(F)F
InChIInChI=1S/C2HF9O3S2/c3-1(4,15(12,13)14)2(5,6)16(7,8,9,10)11/h(H,12,13,14)
InChIKeyJPQUOEVJGVZENU-UHFFFAOYSA-N
MW308.14 g/mol
LogP3.36
Rot. Bonds3

About 1,1,2,2-tetrafluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid

1,1,2,2-tetrafluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid (PubChem CID 163323944) has the molecular formula C2HF9O3S2 and a molecular weight of 308.14 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid
PubChem CID163323944
Molecular FormulaC2HF9O3S2
Molecular Weight308.14 g/mol
Exact Mass307.92
IUPAC Name1,1,2,2-tetrafluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)S(F)(F)(F)(F)F
InChIInChI=1S/C2HF9O3S2/c3-1(4,15(12,13)14)2(5,6)16(7,8,9,10)11/h(H,12,13,14)
InChIKeyJPQUOEVJGVZENU-UHFFFAOYSA-N
XLogP3.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Pentafluoroethanesulfonic acid
CID 10219841
Perfluoropropanesulfonic acid
CID 9859771
Ethanesulfonyl fluoride, 1,1,2,2,2-pentafluoro-
CID 6451567
4-(Pentafluorosulfanyl)perfluorobutyl sulfonic acid
CID 131717604
5-(Pentafluorosulfanyl)perfluoropentyl sulfonic acid
CID 139595395
Perfluoro-3-(pentafluoro-lambda6-sulfanyl)-1-propanesulfonic acid
CID 139595495
Pentafluoroethanesulfinic acid
CID 12663632
Tetrafluoro-1,2-ethanedisulfonic acid
CID 13848000
Tetrafluoroethane-1,2-disulfonic acid difluoride
CID 10923456
Hexafluoro-1,3-propanedisulfonic acid
CID 14384438
2-Chlorosulfonyl-1,1,2,2-tetrafluoroethanesulfonic acid
CID 15135174
1,1,2,2-Tetrafluoro-2-fluorosulfonylethanesulfonic acid
CID 15135176

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid?
The IUPAC name of 1,1,2,2-tetrafluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid (CID 163323944) is 1,1,2,2-tetrafluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)S(F)(F)(F)(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid?
The InChIKey is JPQUOEVJGVZENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF9O3S2/c3-1(4,15(12,13)14)2(5,6)16(7,8,9,10)11/h(H,12,13,14).
What are the key properties of 1,1,2,2-tetrafluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid?
1,1,2,2-tetrafluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid has a molecular weight of 308.14 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid is sourced from PubChem (CID 163323944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).