bis(trifluoromethylsulfonyl)azanide;chloro-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane

C10H16ClF6N3O4S2Si — CID 153323816

IUPACbis(trifluoromethylsulfonyl)azanide;chloro-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane
SMILESCCn1cc[n+](C[Si](C)(C)Cl)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H16ClN2Si.C2F6NO4S2/c1-4-10-5-6-11(7-10)8-12(2,3)9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-7H,4,8H2,1-3H3;/q+1;-1
InChIKeyNKCFJXZFXDJLGT-UHFFFAOYSA-N
MW483.92 g/mol
LogP2.84
Rot. Bonds5

About bis(trifluoromethylsulfonyl)azanide;chloro-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane

bis(trifluoromethylsulfonyl)azanide;chloro-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane (PubChem CID 153323816) has the molecular formula C10H16ClF6N3O4S2Si and a molecular weight of 483.92 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;chloro-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;chloro-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane
PubChem CID153323816
Molecular FormulaC10H16ClF6N3O4S2Si
Molecular Weight483.92 g/mol
Exact Mass482.99
IUPAC Namebis(trifluoromethylsulfonyl)azanide;chloro-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane
SMILESCCn1cc[n+](C[Si](C)(C)Cl)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H16ClN2Si.C2F6NO4S2/c1-4-10-5-6-11(7-10)8-12(2,3)9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-7H,4,8H2,1-3H3;/q+1;-1
InChIKeyNKCFJXZFXDJLGT-UHFFFAOYSA-N
XLogP2.84
TPSA91.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.92
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;chloro-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;chloro-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane (CID 153323816) is bis(trifluoromethylsulfonyl)azanide;chloro-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;chloro-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;chloro-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane is CCn1cc[n+](C[Si](C)(C)Cl)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;chloro-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane?
The InChIKey is NKCFJXZFXDJLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN2Si.C2F6NO4S2/c1-4-10-5-6-11(7-10)8-12(2,3)9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-7H,4,8H2,1-3H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;chloro-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane?
bis(trifluoromethylsulfonyl)azanide;chloro-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane has a molecular weight of 483.92 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;chloro-[(3-ethylimidazol-1-ium-1-yl)methyl]-dimethylsilane is sourced from PubChem (CID 153323816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).