1-chloro-1,2,2,2-tetrafluoroethanesulfonic acid

C2HClF4O3S — CID 12574726

IUPAC1-chloro-1,2,2,2-tetrafluoroethanesulfonic acid
SMILESO=S(=O)(O)C(F)(Cl)C(F)(F)F
InChIInChI=1S/C2HClF4O3S/c3-1(4,2(5,6)7)11(8,9)10/h(H,8,9,10)
InChIKeyXYMXFNHFPLQXTR-UHFFFAOYSA-N
MW216.54 g/mol
LogP1.30
Rot. Bonds1

About 1-chloro-1,2,2,2-tetrafluoroethanesulfonic acid

1-chloro-1,2,2,2-tetrafluoroethanesulfonic acid (PubChem CID 12574726) has the molecular formula C2HClF4O3S and a molecular weight of 216.54 g/mol. Its IUPAC name is 1-chloro-1,2,2,2-tetrafluoroethanesulfonic acid.

Molecular Properties

Compound Name1-chloro-1,2,2,2-tetrafluoroethanesulfonic acid
PubChem CID12574726
Molecular FormulaC2HClF4O3S
Molecular Weight216.54 g/mol
Exact Mass215.93
IUPAC Name1-chloro-1,2,2,2-tetrafluoroethanesulfonic acid
SMILESO=S(=O)(O)C(F)(Cl)C(F)(F)F
InChIInChI=1S/C2HClF4O3S/c3-1(4,2(5,6)7)11(8,9)10/h(H,8,9,10)
InChIKeyXYMXFNHFPLQXTR-UHFFFAOYSA-N
XLogP1.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.54
LogP ≤ 51.30
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

Pentafluoroethanesulfonic acid
CID 10219841
1-Chloro-1,2,2,2-tetrafluoroethanesulfonyl fluoride
CID 12643061
1-Chloro-perfluoro-1-propanesulfonic acid
CID 139596360
2-Chloro-1,1,2,2-tetrafluoroethanesulfonic acid
CID 15921872
2-Chloro-1,1,2,2-tetrafluoroethane-1-sulfonyl chloride
CID 13231632
Sodium 2-chlorotetrafluoroethanesulfonate
CID 23668359
2-Chloro-1,1,2,2-tetrafluoroethanesulfinic acid
CID 12181211
1,2-Dichloro-1,2,2-trifluoroethanesulfonic acid
CID 18993894
2,2,2-Trichloro-1,1-difluoroethanesulfonic acid
CID 87489645
2-Chloro-1,1,2-trifluoro-2-fluorooxysulfonylethanesulfonic acid
CID 87646536
1,1,2,2,3,3,3-Heptafluoropropane-1-sulfonic acid;hydrochloride
CID 129017419
1,1,2,2,2-Pentafluoroethanesulfonic acid;hydrochloride
CID 129017420

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,2,2,2-tetrafluoroethanesulfonic acid?
The IUPAC name of 1-chloro-1,2,2,2-tetrafluoroethanesulfonic acid (CID 12574726) is 1-chloro-1,2,2,2-tetrafluoroethanesulfonic acid.
What is the SMILES notation for 1-chloro-1,2,2,2-tetrafluoroethanesulfonic acid?
The canonical SMILES for 1-chloro-1,2,2,2-tetrafluoroethanesulfonic acid is O=S(=O)(O)C(F)(Cl)C(F)(F)F.
What is the InChIKey of 1-chloro-1,2,2,2-tetrafluoroethanesulfonic acid?
The InChIKey is XYMXFNHFPLQXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HClF4O3S/c3-1(4,2(5,6)7)11(8,9)10/h(H,8,9,10).
What are the key properties of 1-chloro-1,2,2,2-tetrafluoroethanesulfonic acid?
1-chloro-1,2,2,2-tetrafluoroethanesulfonic acid has a molecular weight of 216.54 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,2,2,2-tetrafluoroethanesulfonic acid is sourced from PubChem (CID 12574726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).