1-butyl-3-methylimidazol-3-ium;ethanol;hexafluorophosphate

C10H21F6N2OP — CID 175105794

IUPAC1-butyl-3-methylimidazol-3-ium;ethanol;hexafluorophosphate
SMILESCCCCn1cc[n+](C)c1.CCO.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C8H15N2.C2H6O.F6P/c1-3-4-5-10-7-6-9(2)8-10;1-2-3;1-7(2,3,4,5)6/h6-8H,3-5H2,1-2H3;3H,2H2,1H3;/q+1;;-1
InChIKeyUWMUKYFCWGOPAS-UHFFFAOYSA-N
MW330.25 g/mol
LogP4.49
Rot. Bonds3

About 1-butyl-3-methylimidazol-3-ium;ethanol;hexafluorophosphate

1-butyl-3-methylimidazol-3-ium;ethanol;hexafluorophosphate (PubChem CID 175105794) has the molecular formula C10H21F6N2OP and a molecular weight of 330.25 g/mol. Its IUPAC name is 1-butyl-3-methylimidazol-3-ium;ethanol;hexafluorophosphate.

Molecular Properties

Compound Name1-butyl-3-methylimidazol-3-ium;ethanol;hexafluorophosphate
PubChem CID175105794
Molecular FormulaC10H21F6N2OP
Molecular Weight330.25 g/mol
Exact Mass330.13
IUPAC Name1-butyl-3-methylimidazol-3-ium;ethanol;hexafluorophosphate
SMILESCCCCn1cc[n+](C)c1.CCO.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C8H15N2.C2H6O.F6P/c1-3-4-5-10-7-6-9(2)8-10;1-2-3;1-7(2,3,4,5)6/h6-8H,3-5H2,1-2H3;3H,2H2,1H3;/q+1;;-1
InChIKeyUWMUKYFCWGOPAS-UHFFFAOYSA-N
XLogP4.49
TPSA29.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-methylimidazol-3-ium;tetrahydrate
CID 175081123
1-butyl-3-methylimidazol-3-ium;palladium(2+);diacetate;hexafluorophosphate
CID 51051367
1-butyl-3-methylimidazolium hexachlorophosphate
CID 139239305
1-butyl-3-methylimidazol-3-ium;molecular bromine;bromide
CID 11245926
1-butyl-3-methylimidazol-3-ium;chloroplatinum
CID 175008486
1-butyl-3-methylimidazol-3-ium;dihydrogen phosphite
CID 87096076
1-methyl-3-pentylimidazol-1-ium iodide
CID 11403236
1-butyl-3-methylimidazol-3-ium;urea;chloride
CID 174948726
1-heptyl-3-methylimidazol-3-ium chloride
CID 87431779
1-dotetracontyl-3-methylimidazol-3-ium chloride
CID 141281431
1-icosyl-3-methylimidazol-3-ium bromide
CID 141143655
1-methyl-3-nonadecylimidazol-1-ium chloride
CID 10452646

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methylimidazol-3-ium;ethanol;hexafluorophosphate?
The IUPAC name of 1-butyl-3-methylimidazol-3-ium;ethanol;hexafluorophosphate (CID 175105794) is 1-butyl-3-methylimidazol-3-ium;ethanol;hexafluorophosphate.
What is the SMILES notation for 1-butyl-3-methylimidazol-3-ium;ethanol;hexafluorophosphate?
The canonical SMILES for 1-butyl-3-methylimidazol-3-ium;ethanol;hexafluorophosphate is CCCCn1cc[n+](C)c1.CCO.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 1-butyl-3-methylimidazol-3-ium;ethanol;hexafluorophosphate?
The InChIKey is UWMUKYFCWGOPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2.C2H6O.F6P/c1-3-4-5-10-7-6-9(2)8-10;1-2-3;1-7(2,3,4,5)6/h6-8H,3-5H2,1-2H3;3H,2H2,1H3;/q+1;;-1.
What are the key properties of 1-butyl-3-methylimidazol-3-ium;ethanol;hexafluorophosphate?
1-butyl-3-methylimidazol-3-ium;ethanol;hexafluorophosphate has a molecular weight of 330.25 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methylimidazol-3-ium;ethanol;hexafluorophosphate is sourced from PubChem (CID 175105794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).