ethyl 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetate

C11H18FNO3 — CID 104511114

IUPACethyl 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetate
SMILESCCCC1CC(=O)N(C(F)C(=O)OCC)C1
InChIInChI=1S/C11H18FNO3/c1-3-5-8-6-9(14)13(7-8)10(12)11(15)16-4-2/h8,10H,3-7H2,1-2H3
InChIKeyVEIDDELDUQFGCU-UHFFFAOYSA-N
MW231.27 g/mol
LogP1.49
Rot. Bonds5

About ethyl 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetate

ethyl 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetate (PubChem CID 104511114) has the molecular formula C11H18FNO3 and a molecular weight of 231.27 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetate
PubChem CID104511114
Molecular FormulaC11H18FNO3
Molecular Weight231.27 g/mol
Exact Mass231.13
IUPAC Nameethyl 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetate
SMILESCCCC1CC(=O)N(C(F)C(=O)OCC)C1
InChIInChI=1S/C11H18FNO3/c1-3-5-8-6-9(14)13(7-8)10(12)11(15)16-4-2/h8,10H,3-7H2,1-2H3
InChIKeyVEIDDELDUQFGCU-UHFFFAOYSA-N
XLogP1.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 51.49
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-(2-oxo-4-propylpyrrolidin-1-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetate (CID 104511114) is ethyl 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetate is CCCC1CC(=O)N(C(F)C(=O)OCC)C1.
What is the InChIKey of ethyl 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetate?
The InChIKey is VEIDDELDUQFGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO3/c1-3-5-8-6-9(14)13(7-8)10(12)11(15)16-4-2/h8,10H,3-7H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetate?
ethyl 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetate has a molecular weight of 231.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetate is sourced from PubChem (CID 104511114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).