1-butyl-3-methyl-2H-imidazole;1,1,2,2,3,3,4,4-octafluoropentane;sulfuric acid

C13H22F8N2O4S — CID 87843292

IUPAC1-butyl-3-methyl-2H-imidazole;1,1,2,2,3,3,4,4-octafluoropentane;sulfuric acid
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)F.CCCCN1C=CN(C)C1.O=S(=O)(O)O
InChIInChI=1S/C8H16N2.C5H4F8.H2O4S/c1-3-4-5-10-7-6-9(2)8-10;1-3(8,9)5(12,13)4(10,11)2(6)7;1-5(2,3)4/h6-7H,3-5,8H2,1-2H3;2H,1H3;(H2,1,2,3,4)
InChIKeyXIJSCLYYNFPWFC-UHFFFAOYSA-N
MW454.38 g/mol
LogP3.99
Rot. Bonds6

About 1-butyl-3-methyl-2H-imidazole;1,1,2,2,3,3,4,4-octafluoropentane;sulfuric acid

1-butyl-3-methyl-2H-imidazole;1,1,2,2,3,3,4,4-octafluoropentane;sulfuric acid (PubChem CID 87843292) has the molecular formula C13H22F8N2O4S and a molecular weight of 454.38 g/mol. Its IUPAC name is 1-butyl-3-methyl-2H-imidazole;1,1,2,2,3,3,4,4-octafluoropentane;sulfuric acid.

Molecular Properties

Compound Name1-butyl-3-methyl-2H-imidazole;1,1,2,2,3,3,4,4-octafluoropentane;sulfuric acid
PubChem CID87843292
Molecular FormulaC13H22F8N2O4S
Molecular Weight454.38 g/mol
Exact Mass454.12
IUPAC Name1-butyl-3-methyl-2H-imidazole;1,1,2,2,3,3,4,4-octafluoropentane;sulfuric acid
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)F.CCCCN1C=CN(C)C1.O=S(=O)(O)O
InChIInChI=1S/C8H16N2.C5H4F8.H2O4S/c1-3-4-5-10-7-6-9(2)8-10;1-3(8,9)5(12,13)4(10,11)2(6)7;1-5(2,3)4/h6-7H,3-5,8H2,1-2H3;2H,1H3;(H2,1,2,3,4)
InChIKeyXIJSCLYYNFPWFC-UHFFFAOYSA-N
XLogP3.99
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-octyl-2H-imidazole;bis(trifluoromethanesulfonic acid)
CID 175946209
1-butyl-3-methyl-2H-imidazole
CID 10265934
1-hexadecyl-3-methyl-2H-imidazole;methanesulfonic acid
CID 174775382
1-butyl-3-methyl-2H-imidazole;tetrakis(carbonofluoridic acid)
CID 175410531
1-butyl-3-methyl-2H-imidazole;phosphorous acid
CID 174659773
1-butyl-3-methyl-2H-imidazole;molybdenum
CID 174105929
1-butyl-3-methyl-2H-imidazole;1-ethyl-3-methyl-2H-imidazole;methyl hydrogen sulfate
CID 175297657
CID 175550645
CID 175550645
zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate
CID 175542670
1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride
CID 173166047
tripotassium;1-butyl-3-methyl-2H-imidazole;hydride
CID 174886963
1-dodecyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride
CID 175445474

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-2H-imidazole;1,1,2,2,3,3,4,4-octafluoropentane;sulfuric acid?
The IUPAC name of 1-butyl-3-methyl-2H-imidazole;1,1,2,2,3,3,4,4-octafluoropentane;sulfuric acid (CID 87843292) is 1-butyl-3-methyl-2H-imidazole;1,1,2,2,3,3,4,4-octafluoropentane;sulfuric acid.
What is the SMILES notation for 1-butyl-3-methyl-2H-imidazole;1,1,2,2,3,3,4,4-octafluoropentane;sulfuric acid?
The canonical SMILES for 1-butyl-3-methyl-2H-imidazole;1,1,2,2,3,3,4,4-octafluoropentane;sulfuric acid is CC(F)(F)C(F)(F)C(F)(F)C(F)F.CCCCN1C=CN(C)C1.O=S(=O)(O)O.
What is the InChIKey of 1-butyl-3-methyl-2H-imidazole;1,1,2,2,3,3,4,4-octafluoropentane;sulfuric acid?
The InChIKey is XIJSCLYYNFPWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C5H4F8.H2O4S/c1-3-4-5-10-7-6-9(2)8-10;1-3(8,9)5(12,13)4(10,11)2(6)7;1-5(2,3)4/h6-7H,3-5,8H2,1-2H3;2H,1H3;(H2,1,2,3,4).
What are the key properties of 1-butyl-3-methyl-2H-imidazole;1,1,2,2,3,3,4,4-octafluoropentane;sulfuric acid?
1-butyl-3-methyl-2H-imidazole;1,1,2,2,3,3,4,4-octafluoropentane;sulfuric acid has a molecular weight of 454.38 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-2H-imidazole;1,1,2,2,3,3,4,4-octafluoropentane;sulfuric acid is sourced from PubChem (CID 87843292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).