2-chloro-1,1,2-trifluoroethanesulfonic acid

C2H2ClF3O3S — CID 18504267

IUPAC2-chloro-1,1,2-trifluoroethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)Cl
InChIInChI=1S/C2H2ClF3O3S/c3-1(4)2(5,6)10(7,8)9/h1H,(H,7,8,9)
InChIKeyWSGMNLHBXJEIAE-UHFFFAOYSA-N
MW198.55 g/mol
LogP1.00
Rot. Bonds2

About 2-chloro-1,1,2-trifluoroethanesulfonic acid

2-chloro-1,1,2-trifluoroethanesulfonic acid (PubChem CID 18504267) has the molecular formula C2H2ClF3O3S and a molecular weight of 198.55 g/mol. Its IUPAC name is 2-chloro-1,1,2-trifluoroethanesulfonic acid.

Molecular Properties

Compound Name2-chloro-1,1,2-trifluoroethanesulfonic acid
PubChem CID18504267
Molecular FormulaC2H2ClF3O3S
Molecular Weight198.55 g/mol
Exact Mass197.94
IUPAC Name2-chloro-1,1,2-trifluoroethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)Cl
InChIInChI=1S/C2H2ClF3O3S/c3-1(4)2(5,6)10(7,8)9/h1H,(H,7,8,9)
InChIKeyWSGMNLHBXJEIAE-UHFFFAOYSA-N
XLogP1.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.55
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1,1-difluoropropane-1-sulfonic acid
CID 150355629
1,1,2,3,3,4,4,4-octafluorobutane-1-sulfonic acid
CID 87672454
azane;1,1,2-trifluorobutane-1-sulfonic acid
CID 173170473
bis(trifluoromethanesulfonic acid);ytterbium
CID 72641674
platinum;trifluoromethanesulfonic acid
CID 87655055
trifluoromethanesulfonic acid;zinc
CID 45051803
osmium;bis(trifluoromethanesulfonic acid)
CID 174919112
trifluoromethanesulfonic acid;hydrofluoride
CID 87139590
1,1,2,3,3,4,4,5,5,6,6-undecafluoro-1-hydroxyhexane-2-sulfonic acid
CID 19695004
pyridine;1,1,2,2-tetrafluoroethanesulfonic acid
CID 161024993
bis(trifluoromethanesulfonic acid);zinc;hydrate
CID 175736701
azane;osmium;tris(trifluoromethanesulfonic acid)
CID 85298772

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1,2-trifluoroethanesulfonic acid?
The IUPAC name of 2-chloro-1,1,2-trifluoroethanesulfonic acid (CID 18504267) is 2-chloro-1,1,2-trifluoroethanesulfonic acid.
What is the SMILES notation for 2-chloro-1,1,2-trifluoroethanesulfonic acid?
The canonical SMILES for 2-chloro-1,1,2-trifluoroethanesulfonic acid is O=S(=O)(O)C(F)(F)C(F)Cl.
What is the InChIKey of 2-chloro-1,1,2-trifluoroethanesulfonic acid?
The InChIKey is WSGMNLHBXJEIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2ClF3O3S/c3-1(4)2(5,6)10(7,8)9/h1H,(H,7,8,9).
What are the key properties of 2-chloro-1,1,2-trifluoroethanesulfonic acid?
2-chloro-1,1,2-trifluoroethanesulfonic acid has a molecular weight of 198.55 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,2-trifluoroethanesulfonic acid is sourced from PubChem (CID 18504267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).