bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;3-ethyl-2-methyl-1H-imidazol-3-ium

C10H11F10N3O4S2 — CID 141354863

IUPACbis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;3-ethyl-2-methyl-1H-imidazol-3-ium
SMILESCC[n+]1cc[nH]c1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H10N2.C4F10NO4S2/c1-3-8-5-4-7-6(8)2;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10/h4-5H,3H2,1-2H3;/q;-1/p+1
InChIKeyMTIVACQAEJMWGM-UHFFFAOYSA-O
MW491.33 g/mol
LogP2.96
Rot. Bonds5

About bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;3-ethyl-2-methyl-1H-imidazol-3-ium

bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;3-ethyl-2-methyl-1H-imidazol-3-ium (PubChem CID 141354863) has the molecular formula C10H11F10N3O4S2 and a molecular weight of 491.33 g/mol. Its IUPAC name is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;3-ethyl-2-methyl-1H-imidazol-3-ium.

Molecular Properties

Compound Namebis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;3-ethyl-2-methyl-1H-imidazol-3-ium
PubChem CID141354863
Molecular FormulaC10H11F10N3O4S2
Molecular Weight491.33 g/mol
Exact Mass491.00
IUPAC Namebis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;3-ethyl-2-methyl-1H-imidazol-3-ium
SMILESCC[n+]1cc[nH]c1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H10N2.C4F10NO4S2/c1-3-8-5-4-7-6(8)2;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10/h4-5H,3H2,1-2H3;/q;-1/p+1
InChIKeyMTIVACQAEJMWGM-UHFFFAOYSA-O
XLogP2.96
TPSA102.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;3-ethyl-2-methyl-1H-imidazol-3-ium 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 bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;3-ethyl-2-methyl-1H-imidazol-3-ium?
The IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;3-ethyl-2-methyl-1H-imidazol-3-ium (CID 141354863) is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;3-ethyl-2-methyl-1H-imidazol-3-ium.
What is the SMILES notation for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;3-ethyl-2-methyl-1H-imidazol-3-ium?
The canonical SMILES for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;3-ethyl-2-methyl-1H-imidazol-3-ium is CC[n+]1cc[nH]c1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;3-ethyl-2-methyl-1H-imidazol-3-ium?
The InChIKey is MTIVACQAEJMWGM-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10N2.C4F10NO4S2/c1-3-8-5-4-7-6(8)2;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10/h4-5H,3H2,1-2H3;/q;-1/p+1.
What are the key properties of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;3-ethyl-2-methyl-1H-imidazol-3-ium?
bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;3-ethyl-2-methyl-1H-imidazol-3-ium has a molecular weight of 491.33 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;3-ethyl-2-methyl-1H-imidazol-3-ium is sourced from PubChem (CID 141354863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).