2-chlorosulfonyl-1,1,2,2-tetrafluoroethanesulfonic acid

C2HClF4O5S2 — CID 15135174

IUPAC2-chlorosulfonyl-1,1,2,2-tetrafluoroethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)S(=O)(=O)Cl
InChIInChI=1S/C2HClF4O5S2/c3-13(8,9)1(4,5)2(6,7)14(10,11)12/h(H,10,11,12)
InChIKeyRMMOBQUHYIPVIW-UHFFFAOYSA-N
MW280.60 g/mol
LogP0.63
Rot. Bonds3

About 2-chlorosulfonyl-1,1,2,2-tetrafluoroethanesulfonic acid

2-chlorosulfonyl-1,1,2,2-tetrafluoroethanesulfonic acid (PubChem CID 15135174) has the molecular formula C2HClF4O5S2 and a molecular weight of 280.60 g/mol. Its IUPAC name is 2-chlorosulfonyl-1,1,2,2-tetrafluoroethanesulfonic acid.

Molecular Properties

Compound Name2-chlorosulfonyl-1,1,2,2-tetrafluoroethanesulfonic acid
PubChem CID15135174
Molecular FormulaC2HClF4O5S2
Molecular Weight280.60 g/mol
Exact Mass279.89
IUPAC Name2-chlorosulfonyl-1,1,2,2-tetrafluoroethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)S(=O)(=O)Cl
InChIInChI=1S/C2HClF4O5S2/c3-13(8,9)1(4,5)2(6,7)14(10,11)12/h(H,10,11,12)
InChIKeyRMMOBQUHYIPVIW-UHFFFAOYSA-N
XLogP0.63
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.60
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chlorosulfonyl-1,1,2,2-tetrafluoroethanesulfonic acid?
The IUPAC name of 2-chlorosulfonyl-1,1,2,2-tetrafluoroethanesulfonic acid (CID 15135174) is 2-chlorosulfonyl-1,1,2,2-tetrafluoroethanesulfonic acid.
What is the SMILES notation for 2-chlorosulfonyl-1,1,2,2-tetrafluoroethanesulfonic acid?
The canonical SMILES for 2-chlorosulfonyl-1,1,2,2-tetrafluoroethanesulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)S(=O)(=O)Cl.
What is the InChIKey of 2-chlorosulfonyl-1,1,2,2-tetrafluoroethanesulfonic acid?
The InChIKey is RMMOBQUHYIPVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HClF4O5S2/c3-13(8,9)1(4,5)2(6,7)14(10,11)12/h(H,10,11,12).
What are the key properties of 2-chlorosulfonyl-1,1,2,2-tetrafluoroethanesulfonic acid?
2-chlorosulfonyl-1,1,2,2-tetrafluoroethanesulfonic acid has a molecular weight of 280.60 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorosulfonyl-1,1,2,2-tetrafluoroethanesulfonic acid is sourced from PubChem (CID 15135174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).