ethyl 2-fluoro-2-(2-oxo-3-propylimidazol-1-yl)acetate

C10H15FN2O3 — CID 81298672

IUPACethyl 2-fluoro-2-(2-oxo-3-propylimidazol-1-yl)acetate
SMILESCCCn1ccn(C(F)C(=O)OCC)c1=O
InChIInChI=1S/C10H15FN2O3/c1-3-5-12-6-7-13(10(12)15)8(11)9(14)16-4-2/h6-8H,3-5H2,1-2H3
InChIKeyAXUVYDXPDKNPPM-UHFFFAOYSA-N
MW230.24 g/mol
LogP1.09
Rot. Bonds5

About ethyl 2-fluoro-2-(2-oxo-3-propylimidazol-1-yl)acetate

ethyl 2-fluoro-2-(2-oxo-3-propylimidazol-1-yl)acetate (PubChem CID 81298672) has the molecular formula C10H15FN2O3 and a molecular weight of 230.24 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(2-oxo-3-propylimidazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(2-oxo-3-propylimidazol-1-yl)acetate
PubChem CID81298672
Molecular FormulaC10H15FN2O3
Molecular Weight230.24 g/mol
Exact Mass230.11
IUPAC Nameethyl 2-fluoro-2-(2-oxo-3-propylimidazol-1-yl)acetate
SMILESCCCn1ccn(C(F)C(=O)OCC)c1=O
InChIInChI=1S/C10H15FN2O3/c1-3-5-12-6-7-13(10(12)15)8(11)9(14)16-4-2/h6-8H,3-5H2,1-2H3
InChIKeyAXUVYDXPDKNPPM-UHFFFAOYSA-N
XLogP1.09
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(2-oxo-3-propylimidazol-1-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(2-oxo-3-propylimidazol-1-yl)acetate (CID 81298672) is ethyl 2-fluoro-2-(2-oxo-3-propylimidazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(2-oxo-3-propylimidazol-1-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(2-oxo-3-propylimidazol-1-yl)acetate is CCCn1ccn(C(F)C(=O)OCC)c1=O.
What is the InChIKey of ethyl 2-fluoro-2-(2-oxo-3-propylimidazol-1-yl)acetate?
The InChIKey is AXUVYDXPDKNPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3/c1-3-5-12-6-7-13(10(12)15)8(11)9(14)16-4-2/h6-8H,3-5H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-(2-oxo-3-propylimidazol-1-yl)acetate?
ethyl 2-fluoro-2-(2-oxo-3-propylimidazol-1-yl)acetate has a molecular weight of 230.24 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(2-oxo-3-propylimidazol-1-yl)acetate is sourced from PubChem (CID 81298672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).