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

C10H11F10N3O4S2 — CID 87392427

IUPACbis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium
SMILESCCc1[nH]cc[n+]1C.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/c1-3-6-7-4-5-8(6)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
InChIKeyKDOQGRPFNZNXIA-UHFFFAOYSA-O
MW491.33 g/mol
LogP2.73
Rot. Bonds5

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

bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium (PubChem CID 87392427) 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;2-ethyl-3-methyl-1H-imidazol-3-ium.

Molecular Properties

Compound Namebis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium
PubChem CID87392427
Molecular FormulaC10H11F10N3O4S2
Molecular Weight491.33 g/mol
Exact Mass491.00
IUPAC Namebis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium
SMILESCCc1[nH]cc[n+]1C.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/c1-3-6-7-4-5-8(6)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
InChIKeyKDOQGRPFNZNXIA-UHFFFAOYSA-O
XLogP2.73
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 ≤ 52.73
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'}

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Frequently Asked Questions

What is the IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium?
The IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium (CID 87392427) is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium.
What is the SMILES notation for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium?
The canonical SMILES for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium is CCc1[nH]cc[n+]1C.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;2-ethyl-3-methyl-1H-imidazol-3-ium?
The InChIKey is KDOQGRPFNZNXIA-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10N2.C4F10NO4S2/c1-3-6-7-4-5-8(6)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;2-ethyl-3-methyl-1H-imidazol-3-ium?
bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium has a molecular weight of 491.33 g/mol, XLogP of 2.73, 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;2-ethyl-3-methyl-1H-imidazol-3-ium is sourced from PubChem (CID 87392427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).