ethyl 2-[3-(fluoromethyl)-5-oxopyrrolidin-2-yl]acetate

C9H14FNO3 — CID 68734131

IUPACethyl 2-[3-(fluoromethyl)-5-oxopyrrolidin-2-yl]acetate
SMILESCCOC(=O)CC1NC(=O)CC1CF
InChIInChI=1S/C9H14FNO3/c1-2-14-9(13)4-7-6(5-10)3-8(12)11-7/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyVFTVCHZNHBXUNS-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.41
Rot. Bonds4

About ethyl 2-[3-(fluoromethyl)-5-oxopyrrolidin-2-yl]acetate

ethyl 2-[3-(fluoromethyl)-5-oxopyrrolidin-2-yl]acetate (PubChem CID 68734131) has the molecular formula C9H14FNO3 and a molecular weight of 203.21 g/mol. Its IUPAC name is ethyl 2-[3-(fluoromethyl)-5-oxopyrrolidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(fluoromethyl)-5-oxopyrrolidin-2-yl]acetate
PubChem CID68734131
Molecular FormulaC9H14FNO3
Molecular Weight203.21 g/mol
Exact Mass203.10
IUPAC Nameethyl 2-[3-(fluoromethyl)-5-oxopyrrolidin-2-yl]acetate
SMILESCCOC(=O)CC1NC(=O)CC1CF
InChIInChI=1S/C9H14FNO3/c1-2-14-9(13)4-7-6(5-10)3-8(12)11-7/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyVFTVCHZNHBXUNS-UHFFFAOYSA-N
XLogP0.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl (5-oxopyrrolidin-2-yl)acetate
CID 14587545
Methyl 2-(pyrrolidin-2-yl)propanoate
CID 13778723
Methyl 2-(5-oxopyrrolidin-2-yl)propanoate
CID 70510384
2-(5-Oxopyrrolidin-2-yl)ethyl acetate
CID 14323981
ethyl (2R,3S)-2-methyl-5-oxopyrrolidine-3-carboxylate
CID 118208885
Ethyl 5-oxopyrrolidine-2-acetate
CID 14587546
Methyl 2-acetamidocyclopentanecarboxylate
CID 45119239
Ethyl 2-(4-methyl-5-oxopyrrolidin-2-yl)acetate
CID 133106812
ethyl (3S)-3-acetamido-5-methylhexanoate
CID 135075554
Ethyl 6-(2-methyl-5-oxopyrrolidin-3-yl)hexanoate
CID 145705649
Ethyl 2-(4,4-dimethyl-5-oxopyrrolidin-2-yl)acetate
CID 164186395
ethyl 2-[(2R)-4-methyl-5-oxopyrrolidin-2-yl]acetate
CID 164665822

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(fluoromethyl)-5-oxopyrrolidin-2-yl]acetate?
The IUPAC name of ethyl 2-[3-(fluoromethyl)-5-oxopyrrolidin-2-yl]acetate (CID 68734131) is ethyl 2-[3-(fluoromethyl)-5-oxopyrrolidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(fluoromethyl)-5-oxopyrrolidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[3-(fluoromethyl)-5-oxopyrrolidin-2-yl]acetate is CCOC(=O)CC1NC(=O)CC1CF.
What is the InChIKey of ethyl 2-[3-(fluoromethyl)-5-oxopyrrolidin-2-yl]acetate?
The InChIKey is VFTVCHZNHBXUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO3/c1-2-14-9(13)4-7-6(5-10)3-8(12)11-7/h6-7H,2-5H2,1H3,(H,11,12).
What are the key properties of ethyl 2-[3-(fluoromethyl)-5-oxopyrrolidin-2-yl]acetate?
ethyl 2-[3-(fluoromethyl)-5-oxopyrrolidin-2-yl]acetate has a molecular weight of 203.21 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(fluoromethyl)-5-oxopyrrolidin-2-yl]acetate is sourced from PubChem (CID 68734131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).