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

C6H7FN2O — CID 84762691

IUPAC1-[5-(fluoromethyl)-1H-imidazol-2-yl]ethanone
SMILESCC(=O)c1ncc(CF)[nH]1
InChIInChI=1S/C6H7FN2O/c1-4(10)6-8-3-5(2-7)9-6/h3H,2H2,1H3,(H,8,9)
InChIKeyYQBZGHJJFDFONP-UHFFFAOYSA-N
MW142.13 g/mol
LogP1.08
Rot. Bonds2

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

1-[5-(fluoromethyl)-1H-imidazol-2-yl]ethanone (PubChem CID 84762691) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 1-[5-(fluoromethyl)-1H-imidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(fluoromethyl)-1H-imidazol-2-yl]ethanone
PubChem CID84762691
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name1-[5-(fluoromethyl)-1H-imidazol-2-yl]ethanone
SMILESCC(=O)c1ncc(CF)[nH]1
InChIInChI=1S/C6H7FN2O/c1-4(10)6-8-3-5(2-7)9-6/h3H,2H2,1H3,(H,8,9)
InChIKeyYQBZGHJJFDFONP-UHFFFAOYSA-N
XLogP1.08
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(fluoromethyl)-1H-imidazol-2-yl]ethanone?
The IUPAC name of 1-[5-(fluoromethyl)-1H-imidazol-2-yl]ethanone (CID 84762691) is 1-[5-(fluoromethyl)-1H-imidazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(fluoromethyl)-1H-imidazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(fluoromethyl)-1H-imidazol-2-yl]ethanone is CC(=O)c1ncc(CF)[nH]1.
What is the InChIKey of 1-[5-(fluoromethyl)-1H-imidazol-2-yl]ethanone?
The InChIKey is YQBZGHJJFDFONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c1-4(10)6-8-3-5(2-7)9-6/h3H,2H2,1H3,(H,8,9).
What are the key properties of 1-[5-(fluoromethyl)-1H-imidazol-2-yl]ethanone?
1-[5-(fluoromethyl)-1H-imidazol-2-yl]ethanone has a molecular weight of 142.13 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(fluoromethyl)-1H-imidazol-2-yl]ethanone is sourced from PubChem (CID 84762691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).