ethyl 2-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]acetate

C9H14FNO3 — CID 66725790

IUPACethyl 2-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]acetate
SMILESCCOC(=O)CN1CC(CF)CC1=O
InChIInChI=1S/C9H14FNO3/c1-2-14-9(13)6-11-5-7(4-10)3-8(11)12/h7H,2-6H2,1H3
InChIKeyMJWIYEGHMKVJPG-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.37
Rot. Bonds4

About ethyl 2-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]acetate

ethyl 2-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]acetate (PubChem CID 66725790) has the molecular formula C9H14FNO3 and a molecular weight of 203.21 g/mol. Its IUPAC name is ethyl 2-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]acetate
PubChem CID66725790
Molecular FormulaC9H14FNO3
Molecular Weight203.21 g/mol
Exact Mass203.10
IUPAC Nameethyl 2-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]acetate
SMILESCCOC(=O)CN1CC(CF)CC1=O
InChIInChI=1S/C9H14FNO3/c1-2-14-9(13)6-11-5-7(4-10)3-8(11)12/h7H,2-6H2,1H3
InChIKeyMJWIYEGHMKVJPG-UHFFFAOYSA-N
XLogP0.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[4-(fluoromethyl)-2-oxopyrrolidin-1-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-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]acetate (CID 66725790) is ethyl 2-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]acetate is CCOC(=O)CN1CC(CF)CC1=O.
What is the InChIKey of ethyl 2-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]acetate?
The InChIKey is MJWIYEGHMKVJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO3/c1-2-14-9(13)6-11-5-7(4-10)3-8(11)12/h7H,2-6H2,1H3.
What are the key properties of ethyl 2-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]acetate?
ethyl 2-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]acetate has a molecular weight of 203.21 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]acetate is sourced from PubChem (CID 66725790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).