1-(3-methylimidazol-3-ium-1-yl)ethanol hexafluorophosphate

C6H11F6N2OP — CID 159548891

IUPAC1-(3-methylimidazol-3-ium-1-yl)ethanol hexafluorophosphate
SMILESCC(O)n1cc[n+](C)c1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C6H11N2O.F6P/c1-6(9)8-4-3-7(2)5-8;1-7(2,3,4,5)6/h3-6,9H,1-2H3;/q+1;-1
InChIKeyMFDJYRONKOWJQH-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.21
Rot. Bonds1

About 1-(3-methylimidazol-3-ium-1-yl)ethanol hexafluorophosphate

1-(3-methylimidazol-3-ium-1-yl)ethanol hexafluorophosphate (PubChem CID 159548891) has the molecular formula C6H11F6N2OP and a molecular weight of 272.13 g/mol. Its IUPAC name is 1-(3-methylimidazol-3-ium-1-yl)ethanol hexafluorophosphate.

Molecular Properties

Compound Name1-(3-methylimidazol-3-ium-1-yl)ethanol hexafluorophosphate
PubChem CID159548891
Molecular FormulaC6H11F6N2OP
Molecular Weight272.13 g/mol
Exact Mass272.05
IUPAC Name1-(3-methylimidazol-3-ium-1-yl)ethanol hexafluorophosphate
SMILESCC(O)n1cc[n+](C)c1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C6H11N2O.F6P/c1-6(9)8-4-3-7(2)5-8;1-7(2,3,4,5)6/h3-6,9H,1-2H3;/q+1;-1
InChIKeyMFDJYRONKOWJQH-UHFFFAOYSA-N
XLogP3.21
TPSA29.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.21
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

2-(3-methylimidazol-3-ium-1-yl)propanenitrile
CID 62705906
1-(3-methylimidazol-3-ium-1-yl)ethyl hydrogen carbonate
CID 139327133
5-(3-methylimidazol-3-ium-1-yl)octane-2,6-diol
CID 175124173
2-[1-(3-methylimidazol-3-ium-1-yl)ethoxy]ethanol
CID 87744548
1-(1,2,2,3,3,3-hexafluoropropyl)-3-methylimidazol-3-ium
CID 89077328
1-(2-fluoro-1-methoxyethyl)-3-methylimidazol-3-ium
CID 150459177
[amino-(3-methylimidazol-3-ium-1-yl)methyl] hydrogen sulfate
CID 123643432
1-butan-2-yl-3-methylimidazol-3-ium;trifluoromethanesulfonate
CID 158849714
1-methyl-3-(1,2,2,2-tetrachloroethyl)imidazol-1-ium
CID 161028117
1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium
CID 157370817
1-heptan-2-yl-3-methylimidazol-3-ium tetrafluoroborate
CID 174423729
boric acid;1-(3-methylimidazol-3-ium-1-yl)propan-1-amine
CID 175597926

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazol-3-ium-1-yl)ethanol hexafluorophosphate?
The IUPAC name of 1-(3-methylimidazol-3-ium-1-yl)ethanol hexafluorophosphate (CID 159548891) is 1-(3-methylimidazol-3-ium-1-yl)ethanol hexafluorophosphate.
What is the SMILES notation for 1-(3-methylimidazol-3-ium-1-yl)ethanol hexafluorophosphate?
The canonical SMILES for 1-(3-methylimidazol-3-ium-1-yl)ethanol hexafluorophosphate is CC(O)n1cc[n+](C)c1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 1-(3-methylimidazol-3-ium-1-yl)ethanol hexafluorophosphate?
The InChIKey is MFDJYRONKOWJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2O.F6P/c1-6(9)8-4-3-7(2)5-8;1-7(2,3,4,5)6/h3-6,9H,1-2H3;/q+1;-1.
What are the key properties of 1-(3-methylimidazol-3-ium-1-yl)ethanol hexafluorophosphate?
1-(3-methylimidazol-3-ium-1-yl)ethanol hexafluorophosphate has a molecular weight of 272.13 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazol-3-ium-1-yl)ethanol hexafluorophosphate is sourced from PubChem (CID 159548891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).