5-ethoxy-3,3-difluoro-5-(4-fluorophenyl)pyrrolidin-2-one

C12H12F3NO2 — CID 169095491

IUPAC5-ethoxy-3,3-difluoro-5-(4-fluorophenyl)pyrrolidin-2-one
SMILESCCOC1(c2ccc(F)cc2)CC(F)(F)C(=O)N1
InChIInChI=1S/C12H12F3NO2/c1-2-18-12(7-11(14,15)10(17)16-12)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyAWJSGWYHLOGMMT-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.17
Rot. Bonds3

About 5-ethoxy-3,3-difluoro-5-(4-fluorophenyl)pyrrolidin-2-one

5-ethoxy-3,3-difluoro-5-(4-fluorophenyl)pyrrolidin-2-one (PubChem CID 169095491) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 5-ethoxy-3,3-difluoro-5-(4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-ethoxy-3,3-difluoro-5-(4-fluorophenyl)pyrrolidin-2-one
PubChem CID169095491
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name5-ethoxy-3,3-difluoro-5-(4-fluorophenyl)pyrrolidin-2-one
SMILESCCOC1(c2ccc(F)cc2)CC(F)(F)C(=O)N1
InChIInChI=1S/C12H12F3NO2/c1-2-18-12(7-11(14,15)10(17)16-12)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyAWJSGWYHLOGMMT-UHFFFAOYSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3,3-difluoro-5-(4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 5-ethoxy-3,3-difluoro-5-(4-fluorophenyl)pyrrolidin-2-one (CID 169095491) is 5-ethoxy-3,3-difluoro-5-(4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 5-ethoxy-3,3-difluoro-5-(4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 5-ethoxy-3,3-difluoro-5-(4-fluorophenyl)pyrrolidin-2-one is CCOC1(c2ccc(F)cc2)CC(F)(F)C(=O)N1.
What is the InChIKey of 5-ethoxy-3,3-difluoro-5-(4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is AWJSGWYHLOGMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-2-18-12(7-11(14,15)10(17)16-12)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,16,17).
What are the key properties of 5-ethoxy-3,3-difluoro-5-(4-fluorophenyl)pyrrolidin-2-one?
5-ethoxy-3,3-difluoro-5-(4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 259.23 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3,3-difluoro-5-(4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 169095491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).