ethane;bis(trifluoromethanesulfonic acid)

C4H8F6O6S2 — CID 157442253

IUPACethane;bis(trifluoromethanesulfonic acid)
SMILESCC.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C2H6.2CHF3O3S/c1-2;2*2-1(3,4)8(5,6)7/h1-2H3;2*(H,5,6,7)
InChIKeyBRUPSCLEQXMFGL-UHFFFAOYSA-N
MW330.22 g/mol
LogP1.81
Rot. Bonds

About ethane;bis(trifluoromethanesulfonic acid)

ethane;bis(trifluoromethanesulfonic acid) (PubChem CID 157442253) has the molecular formula C4H8F6O6S2 and a molecular weight of 330.22 g/mol. Its IUPAC name is ethane;bis(trifluoromethanesulfonic acid).

Molecular Properties

Compound Nameethane;bis(trifluoromethanesulfonic acid)
PubChem CID157442253
Molecular FormulaC4H8F6O6S2
Molecular Weight330.22 g/mol
Exact Mass329.97
IUPAC Nameethane;bis(trifluoromethanesulfonic acid)
SMILESCC.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C2H6.2CHF3O3S/c1-2;2*2-1(3,4)8(5,6)7/h1-2H3;2*(H,5,6,7)
InChIKeyBRUPSCLEQXMFGL-UHFFFAOYSA-N
XLogP1.81
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;bis(trifluoromethanesulfonic acid) 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 ethane;bis(trifluoromethanesulfonic acid)?
The IUPAC name of ethane;bis(trifluoromethanesulfonic acid) (CID 157442253) is ethane;bis(trifluoromethanesulfonic acid).
What is the SMILES notation for ethane;bis(trifluoromethanesulfonic acid)?
The canonical SMILES for ethane;bis(trifluoromethanesulfonic acid) is CC.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of ethane;bis(trifluoromethanesulfonic acid)?
The InChIKey is BRUPSCLEQXMFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.2CHF3O3S/c1-2;2*2-1(3,4)8(5,6)7/h1-2H3;2*(H,5,6,7).
What are the key properties of ethane;bis(trifluoromethanesulfonic acid)?
ethane;bis(trifluoromethanesulfonic acid) has a molecular weight of 330.22 g/mol, XLogP of 1.81, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(trifluoromethanesulfonic acid) is sourced from PubChem (CID 157442253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).