ethyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-fluoroacetate

C10H15FN2O4 — CID 81296943

IUPACethyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-fluoroacetate
SMILESCCCC1NC(=O)N(C(F)C(=O)OCC)C1=O
InChIInChI=1S/C10H15FN2O4/c1-3-5-6-8(14)13(10(16)12-6)7(11)9(15)17-4-2/h6-7H,3-5H2,1-2H3,(H,12,16)
InChIKeyNNSYLXUWCDJNCV-UHFFFAOYSA-N
MW246.24 g/mol
LogP0.57
Rot. Bonds5

About ethyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-fluoroacetate

ethyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-fluoroacetate (PubChem CID 81296943) has the molecular formula C10H15FN2O4 and a molecular weight of 246.24 g/mol. Its IUPAC name is ethyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-fluoroacetate
PubChem CID81296943
Molecular FormulaC10H15FN2O4
Molecular Weight246.24 g/mol
Exact Mass246.10
IUPAC Nameethyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-fluoroacetate
SMILESCCCC1NC(=O)N(C(F)C(=O)OCC)C1=O
InChIInChI=1S/C10H15FN2O4/c1-3-5-6-8(14)13(10(16)12-6)7(11)9(15)17-4-2/h6-7H,3-5H2,1-2H3,(H,12,16)
InChIKeyNNSYLXUWCDJNCV-UHFFFAOYSA-N
XLogP0.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-fluoroacetate?
The IUPAC name of ethyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-fluoroacetate (CID 81296943) is ethyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-fluoroacetate is CCCC1NC(=O)N(C(F)C(=O)OCC)C1=O.
What is the InChIKey of ethyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-fluoroacetate?
The InChIKey is NNSYLXUWCDJNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O4/c1-3-5-6-8(14)13(10(16)12-6)7(11)9(15)17-4-2/h6-7H,3-5H2,1-2H3,(H,12,16).
What are the key properties of ethyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-fluoroacetate?
ethyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-fluoroacetate has a molecular weight of 246.24 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-fluoroacetate is sourced from PubChem (CID 81296943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).