ethyl 2-fluoro-2-[1-(2-pentoxyacetyl)pyrrolidin-3-yl]acetate

C15H26FNO4 — CID 126841835

IUPACethyl 2-fluoro-2-[1-(2-pentoxyacetyl)pyrrolidin-3-yl]acetate
SMILESCCCCCOCC(=O)N1CCC(C(F)C(=O)OCC)C1
InChIInChI=1S/C15H26FNO4/c1-3-5-6-9-20-11-13(18)17-8-7-12(10-17)14(16)15(19)21-4-2/h12,14H,3-11H2,1-2H3
InChIKeyJNOYSQKOVXBPEQ-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.94
Rot. Bonds9

About ethyl 2-fluoro-2-[1-(2-pentoxyacetyl)pyrrolidin-3-yl]acetate

ethyl 2-fluoro-2-[1-(2-pentoxyacetyl)pyrrolidin-3-yl]acetate (PubChem CID 126841835) has the molecular formula C15H26FNO4 and a molecular weight of 303.37 g/mol. Its IUPAC name is ethyl 2-fluoro-2-[1-(2-pentoxyacetyl)pyrrolidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-[1-(2-pentoxyacetyl)pyrrolidin-3-yl]acetate
PubChem CID126841835
Molecular FormulaC15H26FNO4
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Nameethyl 2-fluoro-2-[1-(2-pentoxyacetyl)pyrrolidin-3-yl]acetate
SMILESCCCCCOCC(=O)N1CCC(C(F)C(=O)OCC)C1
InChIInChI=1S/C15H26FNO4/c1-3-5-6-9-20-11-13(18)17-8-7-12(10-17)14(16)15(19)21-4-2/h12,14H,3-11H2,1-2H3
InChIKeyJNOYSQKOVXBPEQ-UHFFFAOYSA-N
XLogP1.94
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 2-fluoro-2-[1-(2-pentoxyacetyl)pyrrolidin-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-[1-(2-pentoxyacetyl)pyrrolidin-3-yl]acetate?
The IUPAC name of ethyl 2-fluoro-2-[1-(2-pentoxyacetyl)pyrrolidin-3-yl]acetate (CID 126841835) is ethyl 2-fluoro-2-[1-(2-pentoxyacetyl)pyrrolidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-fluoro-2-[1-(2-pentoxyacetyl)pyrrolidin-3-yl]acetate?
The canonical SMILES for ethyl 2-fluoro-2-[1-(2-pentoxyacetyl)pyrrolidin-3-yl]acetate is CCCCCOCC(=O)N1CCC(C(F)C(=O)OCC)C1.
What is the InChIKey of ethyl 2-fluoro-2-[1-(2-pentoxyacetyl)pyrrolidin-3-yl]acetate?
The InChIKey is JNOYSQKOVXBPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FNO4/c1-3-5-6-9-20-11-13(18)17-8-7-12(10-17)14(16)15(19)21-4-2/h12,14H,3-11H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-[1-(2-pentoxyacetyl)pyrrolidin-3-yl]acetate?
ethyl 2-fluoro-2-[1-(2-pentoxyacetyl)pyrrolidin-3-yl]acetate has a molecular weight of 303.37 g/mol, XLogP of 1.94, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-[1-(2-pentoxyacetyl)pyrrolidin-3-yl]acetate is sourced from PubChem (CID 126841835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).