1-(2-fluoro-1-methoxyethyl)-3-methyl-2H-imidazole

C7H13FN2O — CID 174572332

IUPAC1-(2-fluoro-1-methoxyethyl)-3-methyl-2H-imidazole
SMILESCOC(CF)N1C=CN(C)C1
InChIInChI=1S/C7H13FN2O/c1-9-3-4-10(6-9)7(5-8)11-2/h3-4,7H,5-6H2,1-2H3
InChIKeyOBBHHHNLRZYNPI-UHFFFAOYSA-N
MW160.19 g/mol
LogP0.60
Rot. Bonds3

About 1-(2-fluoro-1-methoxyethyl)-3-methyl-2H-imidazole

1-(2-fluoro-1-methoxyethyl)-3-methyl-2H-imidazole (PubChem CID 174572332) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is 1-(2-fluoro-1-methoxyethyl)-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-(2-fluoro-1-methoxyethyl)-3-methyl-2H-imidazole
PubChem CID174572332
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name1-(2-fluoro-1-methoxyethyl)-3-methyl-2H-imidazole
SMILESCOC(CF)N1C=CN(C)C1
InChIInChI=1S/C7H13FN2O/c1-9-3-4-10(6-9)7(5-8)11-2/h3-4,7H,5-6H2,1-2H3
InChIKeyOBBHHHNLRZYNPI-UHFFFAOYSA-N
XLogP0.60
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-1-methoxyethyl)-3-methyl-2H-imidazole?
The IUPAC name of 1-(2-fluoro-1-methoxyethyl)-3-methyl-2H-imidazole (CID 174572332) is 1-(2-fluoro-1-methoxyethyl)-3-methyl-2H-imidazole.
What is the SMILES notation for 1-(2-fluoro-1-methoxyethyl)-3-methyl-2H-imidazole?
The canonical SMILES for 1-(2-fluoro-1-methoxyethyl)-3-methyl-2H-imidazole is COC(CF)N1C=CN(C)C1.
What is the InChIKey of 1-(2-fluoro-1-methoxyethyl)-3-methyl-2H-imidazole?
The InChIKey is OBBHHHNLRZYNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O/c1-9-3-4-10(6-9)7(5-8)11-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-(2-fluoro-1-methoxyethyl)-3-methyl-2H-imidazole?
1-(2-fluoro-1-methoxyethyl)-3-methyl-2H-imidazole has a molecular weight of 160.19 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-1-methoxyethyl)-3-methyl-2H-imidazole is sourced from PubChem (CID 174572332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).