2-(3-methylimidazol-3-ium-1-yl)ethanol tetrafluoroborate

C6H11BF4N2O — CID 11344909

IUPAC2-(3-methylimidazol-3-ium-1-yl)ethanol tetrafluoroborate
SMILESC[n+]1ccn(CCO)c1.F[B-](F)(F)F
InChIInChI=1S/C6H11N2O.BF4/c1-7-2-3-8(6-7)4-5-9;2-1(3,4)5/h2-3,6,9H,4-5H2,1H3;/q+1;-1
InChIKeyKLTUZFZUYLXTFF-UHFFFAOYSA-N
MW213.97 g/mol
LogP0.60
Rot. Bonds2

About 2-(3-methylimidazol-3-ium-1-yl)ethanol tetrafluoroborate

2-(3-methylimidazol-3-ium-1-yl)ethanol tetrafluoroborate (PubChem CID 11344909) has the molecular formula C6H11BF4N2O and a molecular weight of 213.97 g/mol. Its IUPAC name is 2-(3-methylimidazol-3-ium-1-yl)ethanol tetrafluoroborate.

Molecular Properties

Compound Name2-(3-methylimidazol-3-ium-1-yl)ethanol tetrafluoroborate
PubChem CID11344909
Molecular FormulaC6H11BF4N2O
Molecular Weight213.97 g/mol
Exact Mass214.09
IUPAC Name2-(3-methylimidazol-3-ium-1-yl)ethanol tetrafluoroborate
SMILESC[n+]1ccn(CCO)c1.F[B-](F)(F)F
InChIInChI=1S/C6H11N2O.BF4/c1-7-2-3-8(6-7)4-5-9;2-1(3,4)5/h2-3,6,9H,4-5H2,1H3;/q+1;-1
InChIKeyKLTUZFZUYLXTFF-UHFFFAOYSA-N
XLogP0.60
TPSA29.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.97
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-3-methylimidazolium tetrafluoroborate
CID 2769348
alpha-methyl-1H-imidazole-1-ethanol
CID 109233
2-Methyl-1H-imidazole-1-ethanol
CID 74169
1-Methyl-3-propylimidazolium Tetrafluoroborate
CID 11171853
1-Ethyl-2,3-dimethylimidazolium tetrafluoroborate
CID 21977262
N-(2-Hydroxyethyl)imidazole
CID 74168
(1-methyl-1H-imidazol-2-yl)methanol
CID 573612
(1-ethyl-1H-imidazol-2-yl)methanol
CID 581042
1-(2-Hydroxyethyl)-2-methyl-5-aminoimidazole
CID 134701
[1-(difluoromethyl)-1H-imidazol-2-yl]methanol
CID 7063912
1-(2-Hydroxyethyl)-3-methylimidazolium chloride
CID 11499271
3-(1H-imidazol-1-yl)propan-1-ol
CID 4712271

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-3-ium-1-yl)ethanol tetrafluoroborate?
The IUPAC name of 2-(3-methylimidazol-3-ium-1-yl)ethanol tetrafluoroborate (CID 11344909) is 2-(3-methylimidazol-3-ium-1-yl)ethanol tetrafluoroborate.
What is the SMILES notation for 2-(3-methylimidazol-3-ium-1-yl)ethanol tetrafluoroborate?
The canonical SMILES for 2-(3-methylimidazol-3-ium-1-yl)ethanol tetrafluoroborate is C[n+]1ccn(CCO)c1.F[B-](F)(F)F.
What is the InChIKey of 2-(3-methylimidazol-3-ium-1-yl)ethanol tetrafluoroborate?
The InChIKey is KLTUZFZUYLXTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2O.BF4/c1-7-2-3-8(6-7)4-5-9;2-1(3,4)5/h2-3,6,9H,4-5H2,1H3;/q+1;-1.
What are the key properties of 2-(3-methylimidazol-3-ium-1-yl)ethanol tetrafluoroborate?
2-(3-methylimidazol-3-ium-1-yl)ethanol tetrafluoroborate has a molecular weight of 213.97 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-3-ium-1-yl)ethanol tetrafluoroborate is sourced from PubChem (CID 11344909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).