2-(2-oxopyrrolidin-1-yl)ethyl 2-fluorobenzoate

C13H14FNO3 — CID 2375127

IUPAC2-(2-oxopyrrolidin-1-yl)ethyl 2-fluorobenzoate
SMILESO=C(OCCN1CCCC1=O)c1ccccc1F
InChIInChI=1S/C13H14FNO3/c14-11-5-2-1-4-10(11)13(17)18-9-8-15-7-3-6-12(15)16/h1-2,4-5H,3,6-9H2
InChIKeyOECLABVJDYRFQV-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.60
Rot. Bonds4

About 2-(2-oxopyrrolidin-1-yl)ethyl 2-fluorobenzoate

2-(2-oxopyrrolidin-1-yl)ethyl 2-fluorobenzoate (PubChem CID 2375127) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)ethyl 2-fluorobenzoate.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)ethyl 2-fluorobenzoate
PubChem CID2375127
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name2-(2-oxopyrrolidin-1-yl)ethyl 2-fluorobenzoate
SMILESO=C(OCCN1CCCC1=O)c1ccccc1F
InChIInChI=1S/C13H14FNO3/c14-11-5-2-1-4-10(11)13(17)18-9-8-15-7-3-6-12(15)16/h1-2,4-5H,3,6-9H2
InChIKeyOECLABVJDYRFQV-UHFFFAOYSA-N
XLogP1.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl 2-fluorobenzoate?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl 2-fluorobenzoate (CID 2375127) is 2-(2-oxopyrrolidin-1-yl)ethyl 2-fluorobenzoate.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)ethyl 2-fluorobenzoate?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)ethyl 2-fluorobenzoate is O=C(OCCN1CCCC1=O)c1ccccc1F.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)ethyl 2-fluorobenzoate?
The InChIKey is OECLABVJDYRFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c14-11-5-2-1-4-10(11)13(17)18-9-8-15-7-3-6-12(15)16/h1-2,4-5H,3,6-9H2.
What are the key properties of 2-(2-oxopyrrolidin-1-yl)ethyl 2-fluorobenzoate?
2-(2-oxopyrrolidin-1-yl)ethyl 2-fluorobenzoate has a molecular weight of 251.26 g/mol, XLogP of 1.60, 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-fluorobenzoate is sourced from PubChem (CID 2375127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).