2-(2-oxopyrrolidin-1-yl)ethyl 2,3,4,5-tetrafluorobenzoate

C13H11F4NO3 — CID 2420777

IUPAC2-(2-oxopyrrolidin-1-yl)ethyl 2,3,4,5-tetrafluorobenzoate
SMILESO=C(OCCN1CCCC1=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C13H11F4NO3/c14-8-6-7(10(15)12(17)11(8)16)13(20)21-5-4-18-3-1-2-9(18)19/h6H,1-5H2
InChIKeyXEGWYDWVPSQQGU-UHFFFAOYSA-N
MW305.23 g/mol
LogP2.02
Rot. Bonds4

About 2-(2-oxopyrrolidin-1-yl)ethyl 2,3,4,5-tetrafluorobenzoate

2-(2-oxopyrrolidin-1-yl)ethyl 2,3,4,5-tetrafluorobenzoate (PubChem CID 2420777) has the molecular formula C13H11F4NO3 and a molecular weight of 305.23 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)ethyl 2,3,4,5-tetrafluorobenzoate.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)ethyl 2,3,4,5-tetrafluorobenzoate
PubChem CID2420777
Molecular FormulaC13H11F4NO3
Molecular Weight305.23 g/mol
Exact Mass305.07
IUPAC Name2-(2-oxopyrrolidin-1-yl)ethyl 2,3,4,5-tetrafluorobenzoate
SMILESO=C(OCCN1CCCC1=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C13H11F4NO3/c14-8-6-7(10(15)12(17)11(8)16)13(20)21-5-4-18-3-1-2-9(18)19/h6H,1-5H2
InChIKeyXEGWYDWVPSQQGU-UHFFFAOYSA-N
XLogP2.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(2-oxopyrrolidin-1-yl)ethyl 2,3,4,5-tetrafluorobenzoate with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-oxopyrrolidin-1-yl)ethyl carbamate
CID 118350046
2-(2-oxopyrrolidin-1-yl)ethyl 4-tert-butylbenzoate
CID 2375129
1-[2-(2-acetyl-4-bromo-6-fluorophenoxy)ethyl]pyrrolidin-2-one
CID 75520371
2-(2-oxopyrrolidin-1-yl)ethyl 2-chloro-2-methylbutanoate
CID 175623661
2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate
CID 117060433
1,1-difluoro-2-oxo-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethanesulfonate
CID 58520241
2-(2-oxopyrrolidin-1-yl)ethyl 5-cyclohexyl-1H-pyrazole-3-carboxylate
CID 75433636
2-(2-oxopyrrolidin-1-yl)ethyl thieno[3,2-b]pyridine-6-carboxylate
CID 71988091
2-(2-oxopyrrolidin-1-yl)ethyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 55345813
2-(2-oxoazepan-1-yl)ethyl 5-cyano-1H-pyrrole-3-carboxylate
CID 86784160
3-(2-oxopyrrolidin-1-yl)propyl acetate
CID 71390643
1-[2-[2-(3-aminopropoxy)ethoxy]ethyl]pyrrolidin-2-one
CID 71094030

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl 2,3,4,5-tetrafluorobenzoate?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl 2,3,4,5-tetrafluorobenzoate (CID 2420777) is 2-(2-oxopyrrolidin-1-yl)ethyl 2,3,4,5-tetrafluorobenzoate.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)ethyl 2,3,4,5-tetrafluorobenzoate?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)ethyl 2,3,4,5-tetrafluorobenzoate is O=C(OCCN1CCCC1=O)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)ethyl 2,3,4,5-tetrafluorobenzoate?
The InChIKey is XEGWYDWVPSQQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4NO3/c14-8-6-7(10(15)12(17)11(8)16)13(20)21-5-4-18-3-1-2-9(18)19/h6H,1-5H2.
What are the key properties of 2-(2-oxopyrrolidin-1-yl)ethyl 2,3,4,5-tetrafluorobenzoate?
2-(2-oxopyrrolidin-1-yl)ethyl 2,3,4,5-tetrafluorobenzoate has a molecular weight of 305.23 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)ethyl 2,3,4,5-tetrafluorobenzoate is sourced from PubChem (CID 2420777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).