3-(2-fluoroethyl)-4H-imidazol-5-one

C5H7FN2O — CID 173379068

IUPAC3-(2-fluoroethyl)-4H-imidazol-5-one
SMILESO=C1CN(CCF)C=N1
InChIInChI=1S/C5H7FN2O/c6-1-2-8-3-5(9)7-4-8/h4H,1-3H2
InChIKeyHRVZYBBHSYLNQY-UHFFFAOYSA-N
MW130.12 g/mol
LogP-0.17
Rot. Bonds2

About 3-(2-fluoroethyl)-4H-imidazol-5-one

3-(2-fluoroethyl)-4H-imidazol-5-one (PubChem CID 173379068) has the molecular formula C5H7FN2O and a molecular weight of 130.12 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-4H-imidazol-5-one.

Molecular Properties

Compound Name3-(2-fluoroethyl)-4H-imidazol-5-one
PubChem CID173379068
Molecular FormulaC5H7FN2O
Molecular Weight130.12 g/mol
Exact Mass130.05
IUPAC Name3-(2-fluoroethyl)-4H-imidazol-5-one
SMILESO=C1CN(CCF)C=N1
InChIInChI=1S/C5H7FN2O/c6-1-2-8-3-5(9)7-4-8/h4H,1-3H2
InChIKeyHRVZYBBHSYLNQY-UHFFFAOYSA-N
XLogP-0.17
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-4H-imidazol-5-one?
The IUPAC name of 3-(2-fluoroethyl)-4H-imidazol-5-one (CID 173379068) is 3-(2-fluoroethyl)-4H-imidazol-5-one.
What is the SMILES notation for 3-(2-fluoroethyl)-4H-imidazol-5-one?
The canonical SMILES for 3-(2-fluoroethyl)-4H-imidazol-5-one is O=C1CN(CCF)C=N1.
What is the InChIKey of 3-(2-fluoroethyl)-4H-imidazol-5-one?
The InChIKey is HRVZYBBHSYLNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2O/c6-1-2-8-3-5(9)7-4-8/h4H,1-3H2.
What are the key properties of 3-(2-fluoroethyl)-4H-imidazol-5-one?
3-(2-fluoroethyl)-4H-imidazol-5-one has a molecular weight of 130.12 g/mol, XLogP of -0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-4H-imidazol-5-one is sourced from PubChem (CID 173379068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).