1-(2-fluoro-1-methoxyethyl)-3-methylimidazol-3-ium

C7H12FN2O+ — CID 150459177

IUPAC1-(2-fluoro-1-methoxyethyl)-3-methylimidazol-3-ium
SMILESCOC(CF)n1cc[n+](C)c1
InChIInChI=1S/C7H12FN2O/c1-9-3-4-10(6-9)7(5-8)11-2/h3-4,6-7H,5H2,1-2H3/q+1
InChIKeyHPKPJEIWAUGEQZ-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.43
Rot. Bonds3

About 1-(2-fluoro-1-methoxyethyl)-3-methylimidazol-3-ium

1-(2-fluoro-1-methoxyethyl)-3-methylimidazol-3-ium (PubChem CID 150459177) has the molecular formula C7H12FN2O+ and a molecular weight of 159.18 g/mol. Its IUPAC name is 1-(2-fluoro-1-methoxyethyl)-3-methylimidazol-3-ium.

Molecular Properties

Compound Name1-(2-fluoro-1-methoxyethyl)-3-methylimidazol-3-ium
PubChem CID150459177
Molecular FormulaC7H12FN2O+
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name1-(2-fluoro-1-methoxyethyl)-3-methylimidazol-3-ium
SMILESCOC(CF)n1cc[n+](C)c1
InChIInChI=1S/C7H12FN2O/c1-9-3-4-10(6-9)7(5-8)11-2/h3-4,6-7H,5H2,1-2H3/q+1
InChIKeyHPKPJEIWAUGEQZ-UHFFFAOYSA-N
XLogP0.43
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylimidazol-3-ium-1-yl)butyl acetate
CID 175074173
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-(1-bromododecyl)-3-methylimidazol-3-ium
CID 142708661
N,N-dimethyl-1-(3-methylimidazol-3-ium-1-yl)propan-1-amine bromide
CID 87121443
2-(3-methylimidazol-3-ium-1-yl)propanenitrile
CID 62705906
1-methyl-3-(1,2,2,2-tetrachloroethyl)imidazol-1-ium
CID 161028117
1-heptan-2-yl-3-methylimidazol-3-ium tetrafluoroborate
CID 174423729
dicyano-fluoro-(1,1,2,2,2-pentafluoroethyl)boranuide;1-(1-methoxyethyl)-3-methylimidazol-3-ium
CID 89251147
1-methyl-3-nonacosan-15-ylimidazol-1-ium
CID 146520983
tris(1-(3-methylimidazol-3-ium-1-yl)propan-1-amine);borate
CID 175597927
boric acid;1-(3-methylimidazol-3-ium-1-yl)propan-1-amine
CID 175597926

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-1-methoxyethyl)-3-methylimidazol-3-ium?
The IUPAC name of 1-(2-fluoro-1-methoxyethyl)-3-methylimidazol-3-ium (CID 150459177) is 1-(2-fluoro-1-methoxyethyl)-3-methylimidazol-3-ium.
What is the SMILES notation for 1-(2-fluoro-1-methoxyethyl)-3-methylimidazol-3-ium?
The canonical SMILES for 1-(2-fluoro-1-methoxyethyl)-3-methylimidazol-3-ium is COC(CF)n1cc[n+](C)c1.
What is the InChIKey of 1-(2-fluoro-1-methoxyethyl)-3-methylimidazol-3-ium?
The InChIKey is HPKPJEIWAUGEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN2O/c1-9-3-4-10(6-9)7(5-8)11-2/h3-4,6-7H,5H2,1-2H3/q+1.
What are the key properties of 1-(2-fluoro-1-methoxyethyl)-3-methylimidazol-3-ium?
1-(2-fluoro-1-methoxyethyl)-3-methylimidazol-3-ium has a molecular weight of 159.18 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-1-methoxyethyl)-3-methylimidazol-3-ium is sourced from PubChem (CID 150459177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).