ethyl 2-fluoro-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate

C10H15FN2O3 — CID 81297361

IUPACethyl 2-fluoro-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate
SMILESCCOC(=O)C(F)n1ccn(C(C)C)c1=O
InChIInChI=1S/C10H15FN2O3/c1-4-16-9(14)8(11)13-6-5-12(7(2)3)10(13)15/h5-8H,4H2,1-3H3
InChIKeyXSSGYTSWKZQDGX-UHFFFAOYSA-N
MW230.24 g/mol
LogP1.26
Rot. Bonds4

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

ethyl 2-fluoro-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate (PubChem CID 81297361) 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-propan-2-ylimidazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate
PubChem CID81297361
Molecular FormulaC10H15FN2O3
Molecular Weight230.24 g/mol
Exact Mass230.11
IUPAC Nameethyl 2-fluoro-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate
SMILESCCOC(=O)C(F)n1ccn(C(C)C)c1=O
InChIInChI=1S/C10H15FN2O3/c1-4-16-9(14)8(11)13-6-5-12(7(2)3)10(13)15/h5-8H,4H2,1-3H3
InChIKeyXSSGYTSWKZQDGX-UHFFFAOYSA-N
XLogP1.26
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 51.26
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-propan-2-ylimidazol-1-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate (CID 81297361) is ethyl 2-fluoro-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate is CCOC(=O)C(F)n1ccn(C(C)C)c1=O.
What is the InChIKey of ethyl 2-fluoro-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate?
The InChIKey is XSSGYTSWKZQDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3/c1-4-16-9(14)8(11)13-6-5-12(7(2)3)10(13)15/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 2-fluoro-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate?
ethyl 2-fluoro-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate has a molecular weight of 230.24 g/mol, XLogP of 1.26, 4 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-propan-2-ylimidazol-1-yl)acetate is sourced from PubChem (CID 81297361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).