1-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]ethanone

C7H9FN2O — CID 84763703

IUPAC1-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]ethanone
SMILESCC(=O)c1nc(CF)c(C)[nH]1
InChIInChI=1S/C7H9FN2O/c1-4-6(3-8)10-7(9-4)5(2)11/h3H2,1-2H3,(H,9,10)
InChIKeyLFTGGGCMUFTFJZ-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.39
Rot. Bonds2

About 1-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]ethanone

1-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]ethanone (PubChem CID 84763703) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 1-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]ethanone
PubChem CID84763703
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name1-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]ethanone
SMILESCC(=O)c1nc(CF)c(C)[nH]1
InChIInChI=1S/C7H9FN2O/c1-4-6(3-8)10-7(9-4)5(2)11/h3H2,1-2H3,(H,9,10)
InChIKeyLFTGGGCMUFTFJZ-UHFFFAOYSA-N
XLogP1.39
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]ethanone?
The IUPAC name of 1-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]ethanone (CID 84763703) is 1-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]ethanone is CC(=O)c1nc(CF)c(C)[nH]1.
What is the InChIKey of 1-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]ethanone?
The InChIKey is LFTGGGCMUFTFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-4-6(3-8)10-7(9-4)5(2)11/h3H2,1-2H3,(H,9,10).
What are the key properties of 1-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]ethanone?
1-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]ethanone has a molecular weight of 156.16 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]ethanone is sourced from PubChem (CID 84763703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).