ethyl 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoate

C14H24FNO3 — CID 58718592

IUPACethyl 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoate
SMILESCCOC(=O)C(CC)N1CC(CC(C)(C)F)CC1=O
InChIInChI=1S/C14H24FNO3/c1-5-11(13(18)19-6-2)16-9-10(7-12(16)17)8-14(3,4)15/h10-11H,5-9H2,1-4H3
InChIKeyJCNBDVADYJBHDP-UHFFFAOYSA-N
MW273.35 g/mol
LogP2.31
Rot. Bonds6

About ethyl 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoate

ethyl 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoate (PubChem CID 58718592) has the molecular formula C14H24FNO3 and a molecular weight of 273.35 g/mol. Its IUPAC name is ethyl 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoate
PubChem CID58718592
Molecular FormulaC14H24FNO3
Molecular Weight273.35 g/mol
Exact Mass273.17
IUPAC Nameethyl 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoate
SMILESCCOC(=O)C(CC)N1CC(CC(C)(C)F)CC1=O
InChIInChI=1S/C14H24FNO3/c1-5-11(13(18)19-6-2)16-9-10(7-12(16)17)8-14(3,4)15/h10-11H,5-9H2,1-4H3
InChIKeyJCNBDVADYJBHDP-UHFFFAOYSA-N
XLogP2.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoate?
The IUPAC name of ethyl 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoate (CID 58718592) is ethyl 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoate.
What is the SMILES notation for ethyl 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoate?
The canonical SMILES for ethyl 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoate is CCOC(=O)C(CC)N1CC(CC(C)(C)F)CC1=O.
What is the InChIKey of ethyl 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoate?
The InChIKey is JCNBDVADYJBHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO3/c1-5-11(13(18)19-6-2)16-9-10(7-12(16)17)8-14(3,4)15/h10-11H,5-9H2,1-4H3.
What are the key properties of ethyl 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoate?
ethyl 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoate has a molecular weight of 273.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoate is sourced from PubChem (CID 58718592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).