1-ethyl-3-methylimidazol-3-ium;1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonylsulfanylsulfonyl)ethane

C10H11F10N2O4S3+ — CID 162621321

IUPAC1-ethyl-3-methylimidazol-3-ium;1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonylsulfanylsulfonyl)ethane
SMILESCCn1cc[n+](C)c1.O=S(=O)(SS(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H11N2.C4F10O4S3/c1-3-8-5-4-7(2)6-8;5-1(6,7)3(11,12)20(15,16)19-21(17,18)4(13,14)2(8,9)10/h4-6H,3H2,1-2H3;/q+1;
InChIKeyRFDUWGQLAUJTND-UHFFFAOYSA-N
MW509.39 g/mol
LogP3.02
Rot. Bonds5

About 1-ethyl-3-methylimidazol-3-ium;1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonylsulfanylsulfonyl)ethane

1-ethyl-3-methylimidazol-3-ium;1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonylsulfanylsulfonyl)ethane (PubChem CID 162621321) has the molecular formula C10H11F10N2O4S3+ and a molecular weight of 509.39 g/mol. Its IUPAC name is 1-ethyl-3-methylimidazol-3-ium;1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonylsulfanylsulfonyl)ethane.

Molecular Properties

Compound Name1-ethyl-3-methylimidazol-3-ium;1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonylsulfanylsulfonyl)ethane
PubChem CID162621321
Molecular FormulaC10H11F10N2O4S3+
Molecular Weight509.39 g/mol
Exact Mass508.97
IUPAC Name1-ethyl-3-methylimidazol-3-ium;1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonylsulfanylsulfonyl)ethane
SMILESCCn1cc[n+](C)c1.O=S(=O)(SS(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H11N2.C4F10O4S3/c1-3-8-5-4-7(2)6-8;5-1(6,7)3(11,12)20(15,16)19-21(17,18)4(13,14)2(8,9)10/h4-6H,3H2,1-2H3;/q+1;
InChIKeyRFDUWGQLAUJTND-UHFFFAOYSA-N
XLogP3.02
TPSA77.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-ethyl-3-methylimidazol-3-ium;1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonylsulfanylsulfonyl)ethane 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 1-ethyl-3-methylimidazol-3-ium;1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonylsulfanylsulfonyl)ethane?
The IUPAC name of 1-ethyl-3-methylimidazol-3-ium;1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonylsulfanylsulfonyl)ethane (CID 162621321) is 1-ethyl-3-methylimidazol-3-ium;1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonylsulfanylsulfonyl)ethane.
What is the SMILES notation for 1-ethyl-3-methylimidazol-3-ium;1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonylsulfanylsulfonyl)ethane?
The canonical SMILES for 1-ethyl-3-methylimidazol-3-ium;1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonylsulfanylsulfonyl)ethane is CCn1cc[n+](C)c1.O=S(=O)(SS(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethyl-3-methylimidazol-3-ium;1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonylsulfanylsulfonyl)ethane?
The InChIKey is RFDUWGQLAUJTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2.C4F10O4S3/c1-3-8-5-4-7(2)6-8;5-1(6,7)3(11,12)20(15,16)19-21(17,18)4(13,14)2(8,9)10/h4-6H,3H2,1-2H3;/q+1;.
What are the key properties of 1-ethyl-3-methylimidazol-3-ium;1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonylsulfanylsulfonyl)ethane?
1-ethyl-3-methylimidazol-3-ium;1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonylsulfanylsulfonyl)ethane has a molecular weight of 509.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylimidazol-3-ium;1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonylsulfanylsulfonyl)ethane is sourced from PubChem (CID 162621321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).