ethyl 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetate

C8H13FN2O3 — CID 81298145

IUPACethyl 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetate
SMILESCCOC(=O)C(F)N1CCN(C)C1=O
InChIInChI=1S/C8H13FN2O3/c1-3-14-7(12)6(9)11-5-4-10(2)8(11)13/h6H,3-5H2,1-2H3
InChIKeyLLJNUSDCVNVHHZ-UHFFFAOYSA-N
MW204.20 g/mol
LogP0.21
Rot. Bonds3

About ethyl 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetate

ethyl 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetate (PubChem CID 81298145) has the molecular formula C8H13FN2O3 and a molecular weight of 204.20 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetate
PubChem CID81298145
Molecular FormulaC8H13FN2O3
Molecular Weight204.20 g/mol
Exact Mass204.09
IUPAC Nameethyl 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetate
SMILESCCOC(=O)C(F)N1CCN(C)C1=O
InChIInChI=1S/C8H13FN2O3/c1-3-14-7(12)6(9)11-5-4-10(2)8(11)13/h6H,3-5H2,1-2H3
InChIKeyLLJNUSDCVNVHHZ-UHFFFAOYSA-N
XLogP0.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetate (CID 81298145) is ethyl 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetate is CCOC(=O)C(F)N1CCN(C)C1=O.
What is the InChIKey of ethyl 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetate?
The InChIKey is LLJNUSDCVNVHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O3/c1-3-14-7(12)6(9)11-5-4-10(2)8(11)13/h6H,3-5H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetate?
ethyl 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetate has a molecular weight of 204.20 g/mol, XLogP of 0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 81298145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).