1-ethyl-2-methylimidazole;2-(trifluoromethylsulfonyl)propanedinitrile

C10H11F3N4O2S — CID 171929199

IUPAC1-ethyl-2-methylimidazole;2-(trifluoromethylsulfonyl)propanedinitrile
SMILESCCn1ccnc1C.N#CC(C#N)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10N2.C4HF3N2O2S/c1-3-8-5-4-7-6(8)2;5-4(6,7)12(10,11)3(1-8)2-9/h4-5H,3H2,1-2H3;3H
InChIKeyFIUYRYJNQUZCTB-UHFFFAOYSA-N
MW308.29 g/mol
LogP1.55
Rot. Bonds2

About 1-ethyl-2-methylimidazole;2-(trifluoromethylsulfonyl)propanedinitrile

1-ethyl-2-methylimidazole;2-(trifluoromethylsulfonyl)propanedinitrile (PubChem CID 171929199) has the molecular formula C10H11F3N4O2S and a molecular weight of 308.29 g/mol. Its IUPAC name is 1-ethyl-2-methylimidazole;2-(trifluoromethylsulfonyl)propanedinitrile.

Molecular Properties

Compound Name1-ethyl-2-methylimidazole;2-(trifluoromethylsulfonyl)propanedinitrile
PubChem CID171929199
Molecular FormulaC10H11F3N4O2S
Molecular Weight308.29 g/mol
Exact Mass308.06
IUPAC Name1-ethyl-2-methylimidazole;2-(trifluoromethylsulfonyl)propanedinitrile
SMILESCCn1ccnc1C.N#CC(C#N)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10N2.C4HF3N2O2S/c1-3-8-5-4-7-6(8)2;5-4(6,7)12(10,11)3(1-8)2-9/h4-5H,3H2,1-2H3;3H
InChIKeyFIUYRYJNQUZCTB-UHFFFAOYSA-N
XLogP1.55
TPSA99.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide
CID 11750474
1-Ethyl-3-methylimidazolium trifluoromethanesulfonate
CID 2758874
1-Butyl-3-methylimidazolium trifluoromethanesulfonate
CID 2734246
1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate
CID 2734250
1-Ethyl-2,3-dimethylimidazolium triflate
CID 16210995
1-Ethyl-2,3-dimethylimidazolium Bis(trifluoromethanesulfonyl)imide
CID 21932259
1-Ethyl-3-methylimidazolium 1,1,2,2-tetrafluoroethanesulfonate
CID 71310875
4-(3-Butyl-1-imidazolio)-1-butanesulfonic acid triflate
CID 11475374
1-Ethyl-3-methylimidazolium bis(perfluoroethylsulfonyl)imide
CID 16212470
1-Butyl-3-methylimidazolium 1,1,2,2-tetrafluoroethanesulfonate
CID 87095945
1-(3-Cyanopropyl)-3-methylimidazolium bis(trifluoromethylsulfonyl)amide
CID 11690517
N-[3-(2,3-dimethylimidazol-3-ium-1-yl)propyl]-1,1,1-trifluoro-N-methylmethanesulfonamide chloride
CID 14868946

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylimidazole;2-(trifluoromethylsulfonyl)propanedinitrile?
The IUPAC name of 1-ethyl-2-methylimidazole;2-(trifluoromethylsulfonyl)propanedinitrile (CID 171929199) is 1-ethyl-2-methylimidazole;2-(trifluoromethylsulfonyl)propanedinitrile.
What is the SMILES notation for 1-ethyl-2-methylimidazole;2-(trifluoromethylsulfonyl)propanedinitrile?
The canonical SMILES for 1-ethyl-2-methylimidazole;2-(trifluoromethylsulfonyl)propanedinitrile is CCn1ccnc1C.N#CC(C#N)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-ethyl-2-methylimidazole;2-(trifluoromethylsulfonyl)propanedinitrile?
The InChIKey is FIUYRYJNQUZCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C4HF3N2O2S/c1-3-8-5-4-7-6(8)2;5-4(6,7)12(10,11)3(1-8)2-9/h4-5H,3H2,1-2H3;3H.
What are the key properties of 1-ethyl-2-methylimidazole;2-(trifluoromethylsulfonyl)propanedinitrile?
1-ethyl-2-methylimidazole;2-(trifluoromethylsulfonyl)propanedinitrile has a molecular weight of 308.29 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylimidazole;2-(trifluoromethylsulfonyl)propanedinitrile is sourced from PubChem (CID 171929199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).