1-(2-ethoxy-6-fluorophenyl)-3-fluoropyrrolidin-2-one

C12H13F2NO2 — CID 141328738

IUPAC1-(2-ethoxy-6-fluorophenyl)-3-fluoropyrrolidin-2-one
SMILESCCOc1cccc(F)c1N1CCC(F)C1=O
InChIInChI=1S/C12H13F2NO2/c1-2-17-10-5-3-4-8(13)11(10)15-7-6-9(14)12(15)16/h3-5,9H,2,6-7H2,1H3
InChIKeyLHHZGMIUPDUZMI-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.30
Rot. Bonds3

About 1-(2-ethoxy-6-fluorophenyl)-3-fluoropyrrolidin-2-one

1-(2-ethoxy-6-fluorophenyl)-3-fluoropyrrolidin-2-one (PubChem CID 141328738) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 1-(2-ethoxy-6-fluorophenyl)-3-fluoropyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-ethoxy-6-fluorophenyl)-3-fluoropyrrolidin-2-one
PubChem CID141328738
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name1-(2-ethoxy-6-fluorophenyl)-3-fluoropyrrolidin-2-one
SMILESCCOc1cccc(F)c1N1CCC(F)C1=O
InChIInChI=1S/C12H13F2NO2/c1-2-17-10-5-3-4-8(13)11(10)15-7-6-9(14)12(15)16/h3-5,9H,2,6-7H2,1H3
InChIKeyLHHZGMIUPDUZMI-UHFFFAOYSA-N
XLogP2.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-6-fluorophenyl)-3-fluoropyrrolidin-2-one?
The IUPAC name of 1-(2-ethoxy-6-fluorophenyl)-3-fluoropyrrolidin-2-one (CID 141328738) is 1-(2-ethoxy-6-fluorophenyl)-3-fluoropyrrolidin-2-one.
What is the SMILES notation for 1-(2-ethoxy-6-fluorophenyl)-3-fluoropyrrolidin-2-one?
The canonical SMILES for 1-(2-ethoxy-6-fluorophenyl)-3-fluoropyrrolidin-2-one is CCOc1cccc(F)c1N1CCC(F)C1=O.
What is the InChIKey of 1-(2-ethoxy-6-fluorophenyl)-3-fluoropyrrolidin-2-one?
The InChIKey is LHHZGMIUPDUZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-2-17-10-5-3-4-8(13)11(10)15-7-6-9(14)12(15)16/h3-5,9H,2,6-7H2,1H3.
What are the key properties of 1-(2-ethoxy-6-fluorophenyl)-3-fluoropyrrolidin-2-one?
1-(2-ethoxy-6-fluorophenyl)-3-fluoropyrrolidin-2-one has a molecular weight of 241.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-6-fluorophenyl)-3-fluoropyrrolidin-2-one is sourced from PubChem (CID 141328738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).