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

C7H9FN2O — CID 84763699

IUPAC1-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanone
SMILESCC(=O)c1cnc(C(C)F)[nH]1
InChIInChI=1S/C7H9FN2O/c1-4(8)7-9-3-6(10-7)5(2)11/h3-4H,1-2H3,(H,9,10)
InChIKeyNPDLUIZPUBDZHY-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.64
Rot. Bonds2

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

1-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanone (PubChem CID 84763699) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 1-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanone
PubChem CID84763699
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name1-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanone
SMILESCC(=O)c1cnc(C(C)F)[nH]1
InChIInChI=1S/C7H9FN2O/c1-4(8)7-9-3-6(10-7)5(2)11/h3-4H,1-2H3,(H,9,10)
InChIKeyNPDLUIZPUBDZHY-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanone?
The IUPAC name of 1-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanone (CID 84763699) is 1-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanone is CC(=O)c1cnc(C(C)F)[nH]1.
What is the InChIKey of 1-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanone?
The InChIKey is NPDLUIZPUBDZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-4(8)7-9-3-6(10-7)5(2)11/h3-4H,1-2H3,(H,9,10).
What are the key properties of 1-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanone?
1-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanone has a molecular weight of 156.16 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanone is sourced from PubChem (CID 84763699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).