ethanesulfonic acid;2,2,2-trifluoroacetic acid

C4H7F3O5S — CID 158256592

IUPACethanesulfonic acid;2,2,2-trifluoroacetic acid
SMILESCCS(=O)(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H6O3S/c3-2(4,5)1(6)7;1-2-6(3,4)5/h(H,6,7);2H2,1H3,(H,3,4,5)
InChIKeyGHIXXVSLJXVZFS-UHFFFAOYSA-N
MW224.16 g/mol
LogP0.53
Rot. Bonds1

About ethanesulfonic acid;2,2,2-trifluoroacetic acid

ethanesulfonic acid;2,2,2-trifluoroacetic acid (PubChem CID 158256592) has the molecular formula C4H7F3O5S and a molecular weight of 224.16 g/mol. Its IUPAC name is ethanesulfonic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameethanesulfonic acid;2,2,2-trifluoroacetic acid
PubChem CID158256592
Molecular FormulaC4H7F3O5S
Molecular Weight224.16 g/mol
Exact Mass224.00
IUPAC Nameethanesulfonic acid;2,2,2-trifluoroacetic acid
SMILESCCS(=O)(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H6O3S/c3-2(4,5)1(6)7;1-2-6(3,4)5/h(H,6,7);2H2,1H3,(H,3,4,5)
InChIKeyGHIXXVSLJXVZFS-UHFFFAOYSA-N
XLogP0.53
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.16
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 ethanesulfonic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of ethanesulfonic acid;2,2,2-trifluoroacetic acid (CID 158256592) is ethanesulfonic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for ethanesulfonic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for ethanesulfonic acid;2,2,2-trifluoroacetic acid is CCS(=O)(=O)O.O=C(O)C(F)(F)F.
What is the InChIKey of ethanesulfonic acid;2,2,2-trifluoroacetic acid?
The InChIKey is GHIXXVSLJXVZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.C2H6O3S/c3-2(4,5)1(6)7;1-2-6(3,4)5/h(H,6,7);2H2,1H3,(H,3,4,5).
What are the key properties of ethanesulfonic acid;2,2,2-trifluoroacetic acid?
ethanesulfonic acid;2,2,2-trifluoroacetic acid has a molecular weight of 224.16 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanesulfonic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158256592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).