1-butyl-2-methylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C10H15F6N3O4S2 — CID 173328428

IUPAC1-butyl-2-methylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCCn1ccnc1C.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H14N2.C2HF6NO4S2/c1-3-4-6-10-7-5-9-8(10)2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5,7H,3-4,6H2,1-2H3;9H
InChIKeyHWOLYLNIUQNBNO-UHFFFAOYSA-N
MW419.37 g/mol
LogP2.27
Rot. Bonds5

About 1-butyl-2-methylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

1-butyl-2-methylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 173328428) has the molecular formula C10H15F6N3O4S2 and a molecular weight of 419.37 g/mol. Its IUPAC name is 1-butyl-2-methylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Name1-butyl-2-methylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID173328428
Molecular FormulaC10H15F6N3O4S2
Molecular Weight419.37 g/mol
Exact Mass419.04
IUPAC Name1-butyl-2-methylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCCn1ccnc1C.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H14N2.C2HF6NO4S2/c1-3-4-6-10-7-5-9-8(10)2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5,7H,3-4,6H2,1-2H3;9H
InChIKeyHWOLYLNIUQNBNO-UHFFFAOYSA-N
XLogP2.27
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-butyl-2-methylimidazole;methyl hydrogen carbonate
CID 175255728
1-butyl-2,3-dimethylimidazol-3-ium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 123134715
2-methyl-1-octylimidazole;hydrate
CID 174602652
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
fluoroform;1-hexyl-2-methylimidazole
CID 174860235
1-ethyl-2-methylimidazole;sulfuric acid
CID 174953824
4-(2-methylimidazol-1-yl)butane-1-sulfonic acid
CID 71342023
2-methyl-1-(3-methylsulfonylpropyl)imidazole
CID 63239256
1-butyl-2-methylimidazole;(9Z,12Z)-2,2,3,3,4,4-hexafluorooctadeca-9,12-dienoic acid
CID 159183487
6-(2-methylimidazol-1-yl)hexan-3-ol
CID 106802505
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
3-(2-methylimidazol-1-yl)propylhydrazine
CID 123546273

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of 1-butyl-2-methylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 173328428) is 1-butyl-2-methylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for 1-butyl-2-methylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for 1-butyl-2-methylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is CCCCn1ccnc1C.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-butyl-2-methylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is HWOLYLNIUQNBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C2HF6NO4S2/c1-3-4-6-10-7-5-9-8(10)2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5,7H,3-4,6H2,1-2H3;9H.
What are the key properties of 1-butyl-2-methylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
1-butyl-2-methylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 419.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 173328428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).