ethanesulfonic acid;tetrafluoromethane

C3H6F4O3S — CID 174391357

IUPACethanesulfonic acid;tetrafluoromethane
SMILESCCS(=O)(=O)O.FC(F)(F)F
InChIInChI=1S/C2H6O3S.CF4/c1-2-6(3,4)5;2-1(3,4)5/h2H2,1H3,(H,3,4,5);
InChIKeyZXMQAUKUKSXQLA-UHFFFAOYSA-N
MW198.14 g/mol
LogP1.37
Rot. Bonds1

About ethanesulfonic acid;tetrafluoromethane

ethanesulfonic acid;tetrafluoromethane (PubChem CID 174391357) has the molecular formula C3H6F4O3S and a molecular weight of 198.14 g/mol. Its IUPAC name is ethanesulfonic acid;tetrafluoromethane.

Molecular Properties

Compound Nameethanesulfonic acid;tetrafluoromethane
PubChem CID174391357
Molecular FormulaC3H6F4O3S
Molecular Weight198.14 g/mol
Exact Mass198.00
IUPAC Nameethanesulfonic acid;tetrafluoromethane
SMILESCCS(=O)(=O)O.FC(F)(F)F
InChIInChI=1S/C2H6O3S.CF4/c1-2-6(3,4)5;2-1(3,4)5/h2H2,1H3,(H,3,4,5);
InChIKeyZXMQAUKUKSXQLA-UHFFFAOYSA-N
XLogP1.37
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethanesulfonic acid;tetrafluoromethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethanesulfonic acid;tetrafluoromethane?
The IUPAC name of ethanesulfonic acid;tetrafluoromethane (CID 174391357) is ethanesulfonic acid;tetrafluoromethane.
What is the SMILES notation for ethanesulfonic acid;tetrafluoromethane?
The canonical SMILES for ethanesulfonic acid;tetrafluoromethane is CCS(=O)(=O)O.FC(F)(F)F.
What is the InChIKey of ethanesulfonic acid;tetrafluoromethane?
The InChIKey is ZXMQAUKUKSXQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3S.CF4/c1-2-6(3,4)5;2-1(3,4)5/h2H2,1H3,(H,3,4,5);.
What are the key properties of ethanesulfonic acid;tetrafluoromethane?
ethanesulfonic acid;tetrafluoromethane has a molecular weight of 198.14 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanesulfonic acid;tetrafluoromethane is sourced from PubChem (CID 174391357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).