1-ethyl-2,3-dimethylimidazol-3-ium;hexafluoroantimony(1-)

C7H13F6N2Sb — CID 160599976

IUPAC1-ethyl-2,3-dimethylimidazol-3-ium;hexafluoroantimony(1-)
SMILESCCn1cc[n+](C)c1C.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C7H13N2.6FH.Sb/c1-4-9-6-5-8(3)7(9)2;;;;;;;/h5-6H,4H2,1-3H3;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyREDIGQAUYHDIDB-UHFFFAOYSA-H
MW360.94 g/mol
LogP2.78
Rot. Bonds1

About 1-ethyl-2,3-dimethylimidazol-3-ium;hexafluoroantimony(1-)

1-ethyl-2,3-dimethylimidazol-3-ium;hexafluoroantimony(1-) (PubChem CID 160599976) has the molecular formula C7H13F6N2Sb and a molecular weight of 360.94 g/mol. Its IUPAC name is 1-ethyl-2,3-dimethylimidazol-3-ium;hexafluoroantimony(1-).

Molecular Properties

Compound Name1-ethyl-2,3-dimethylimidazol-3-ium;hexafluoroantimony(1-)
PubChem CID160599976
Molecular FormulaC7H13F6N2Sb
Molecular Weight360.94 g/mol
Exact Mass360.00
IUPAC Name1-ethyl-2,3-dimethylimidazol-3-ium;hexafluoroantimony(1-)
SMILESCCn1cc[n+](C)c1C.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C7H13N2.6FH.Sb/c1-4-9-6-5-8(3)7(9)2;;;;;;;/h5-6H,4H2,1-3H3;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyREDIGQAUYHDIDB-UHFFFAOYSA-H
XLogP2.78
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.94
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2,3-dimethylimidazol-3-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
CID 141212969
cyano-difluoro-(1,1,2,2,2-pentafluoroethyl)boranuide;1-ethyl-2,3-dimethylimidazol-3-ium
CID 89251299
ethyl dihydrogen phosphate;1-ethyl-2,3-dimethylimidazol-3-ium
CID 87431141
1-ethyl-2,3-dimethylimidazol-3-ium;ethyl hydrogen sulfate;hydrate
CID 160570305
bis(1-butyl-2,3-dimethylimidazol-3-ium) dichloride
CID 141338372
1-(2-methoxyethyl)-2,3-dimethylimidazol-3-ium
CID 59602015
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,3-dimethylimidazol-3-ium-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dimethylimidazol-3-ium
CID 100942517
iodanium 1-butyl-2,3-dimethylimidazol-3-ium
CID 172822864
octakis(1-butyl-2,3-dimethylimidazol-3-ium);tetrakis(fluoro(dioxido)borane)
CID 173003963
1-hexyl-2,3-dimethylimidazol-3-ium tritetrafluoroborate
CID 173080776
1-dodecyl-2,3-dimethylimidazol-3-ium bromide
CID 87228975
2-(2,3-dimethylimidazol-3-ium-1-yl)-N,N-diethylethanamine
CID 88593844

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dimethylimidazol-3-ium;hexafluoroantimony(1-)?
The IUPAC name of 1-ethyl-2,3-dimethylimidazol-3-ium;hexafluoroantimony(1-) (CID 160599976) is 1-ethyl-2,3-dimethylimidazol-3-ium;hexafluoroantimony(1-).
What is the SMILES notation for 1-ethyl-2,3-dimethylimidazol-3-ium;hexafluoroantimony(1-)?
The canonical SMILES for 1-ethyl-2,3-dimethylimidazol-3-ium;hexafluoroantimony(1-) is CCn1cc[n+](C)c1C.F[Sb-](F)(F)(F)(F)F.
What is the InChIKey of 1-ethyl-2,3-dimethylimidazol-3-ium;hexafluoroantimony(1-)?
The InChIKey is REDIGQAUYHDIDB-UHFFFAOYSA-H. The full InChI is InChI=1S/C7H13N2.6FH.Sb/c1-4-9-6-5-8(3)7(9)2;;;;;;;/h5-6H,4H2,1-3H3;6*1H;/q+1;;;;;;;+5/p-6.
What are the key properties of 1-ethyl-2,3-dimethylimidazol-3-ium;hexafluoroantimony(1-)?
1-ethyl-2,3-dimethylimidazol-3-ium;hexafluoroantimony(1-) has a molecular weight of 360.94 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dimethylimidazol-3-ium;hexafluoroantimony(1-) is sourced from PubChem (CID 160599976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).