2-(2-fluoro-1-methoxyethyl)-3-methyl-1H-imidazol-3-ium

C7H12FN2O+ — CID 91234322

IUPAC2-(2-fluoro-1-methoxyethyl)-3-methyl-1H-imidazol-3-ium
SMILESCOC(CF)c1[nH]cc[n+]1C
InChIInChI=1S/C7H11FN2O/c1-10-4-3-9-7(10)6(5-8)11-2/h3-4,6H,5H2,1-2H3/p+1
InChIKeyJVOWJWSDUWPUTR-UHFFFAOYSA-O
MW159.18 g/mol
LogP0.50
Rot. Bonds3

About 2-(2-fluoro-1-methoxyethyl)-3-methyl-1H-imidazol-3-ium

2-(2-fluoro-1-methoxyethyl)-3-methyl-1H-imidazol-3-ium (PubChem CID 91234322) has the molecular formula C7H12FN2O+ and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-(2-fluoro-1-methoxyethyl)-3-methyl-1H-imidazol-3-ium.

Molecular Properties

Compound Name2-(2-fluoro-1-methoxyethyl)-3-methyl-1H-imidazol-3-ium
PubChem CID91234322
Molecular FormulaC7H12FN2O+
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-(2-fluoro-1-methoxyethyl)-3-methyl-1H-imidazol-3-ium
SMILESCOC(CF)c1[nH]cc[n+]1C
InChIInChI=1S/C7H11FN2O/c1-10-4-3-9-7(10)6(5-8)11-2/h3-4,6H,5H2,1-2H3/p+1
InChIKeyJVOWJWSDUWPUTR-UHFFFAOYSA-O
XLogP0.50
TPSA28.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-imidazol-2-yl)ethan-1-ol
CID 15055958
2-(ethoxymethyl)-1H-imidazole
CID 15043882
2-(Methoxymethyl)-1H-imidazole
CID 15043884
4-(1H-imidazol-2-ylmethyl)morpholine
CID 272246
2-(dimethoxymethyl)-1H-imidazole
CID 11789305
2-(1H-Imidazol-2-yl)propan-2-ol
CID 15123323
1-(1H-imidazol-2-yl)propan-1-ol
CID 17913133
2-amino-1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol dihydrochloride
CID 45156287
2-(1H-imidazol-2-yl)morpholine
CID 82595193
1-(1H-imidazol-2-yl)-2-methylpropan-1-ol hydrochloride
CID 155970578
1-(1H-imidazol-2-yl)propan-2-ol
CID 22055139
1-(1H-imidazol-2-yl)-2,2-dimethylpropan-1-ol
CID 45091832

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-1-methoxyethyl)-3-methyl-1H-imidazol-3-ium?
The IUPAC name of 2-(2-fluoro-1-methoxyethyl)-3-methyl-1H-imidazol-3-ium (CID 91234322) is 2-(2-fluoro-1-methoxyethyl)-3-methyl-1H-imidazol-3-ium.
What is the SMILES notation for 2-(2-fluoro-1-methoxyethyl)-3-methyl-1H-imidazol-3-ium?
The canonical SMILES for 2-(2-fluoro-1-methoxyethyl)-3-methyl-1H-imidazol-3-ium is COC(CF)c1[nH]cc[n+]1C.
What is the InChIKey of 2-(2-fluoro-1-methoxyethyl)-3-methyl-1H-imidazol-3-ium?
The InChIKey is JVOWJWSDUWPUTR-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H11FN2O/c1-10-4-3-9-7(10)6(5-8)11-2/h3-4,6H,5H2,1-2H3/p+1.
What are the key properties of 2-(2-fluoro-1-methoxyethyl)-3-methyl-1H-imidazol-3-ium?
2-(2-fluoro-1-methoxyethyl)-3-methyl-1H-imidazol-3-ium has a molecular weight of 159.18 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-1-methoxyethyl)-3-methyl-1H-imidazol-3-ium is sourced from PubChem (CID 91234322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).