1-[2-(3,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one

C12H11F2NO2 — CID 62018275

IUPAC1-[2-(3,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one
SMILESO=C(CN1CCCC1=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H11F2NO2/c13-9-4-3-8(6-10(9)14)11(16)7-15-5-1-2-12(15)17/h3-4,6H,1-2,5,7H2
InChIKeyCJZDQDLLTORWSP-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.77
Rot. Bonds3

About 1-[2-(3,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one

1-[2-(3,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one (PubChem CID 62018275) has the molecular formula C12H11F2NO2 and a molecular weight of 239.22 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one
PubChem CID62018275
Molecular FormulaC12H11F2NO2
Molecular Weight239.22 g/mol
Exact Mass239.08
IUPAC Name1-[2-(3,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one
SMILESO=C(CN1CCCC1=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H11F2NO2/c13-9-4-3-8(6-10(9)14)11(16)7-15-5-1-2-12(15)17/h3-4,6H,1-2,5,7H2
InChIKeyCJZDQDLLTORWSP-UHFFFAOYSA-N
XLogP1.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,4-difluorophenyl)-2-oxoethyl]azepane-2,7-dione
CID 62023044
1-[2-(3,4-difluorophenyl)-2-oxoethyl]piperidin-4-one
CID 62050662
1-[2-(3-bromophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018803
1-[2-(3-hydroxyphenyl)-2-oxoethyl]piperidin-2-one
CID 105492599
1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperidin-2-one
CID 62024658
1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018618
3-[2-(3,4-difluorophenyl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 60624816
2-[2-(3,4-difluorophenyl)-2-oxoethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513704
1-[2-(4-nitrophenyl)-2-oxoethyl]piperidin-2-one
CID 62024655
1-[2-(3-methoxyphenyl)-2-oxoethyl]azepan-2-one
CID 62025171
1-(3,4-difluorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62036321
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(3,4-difluorophenyl)ethanone
CID 43228918

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one (CID 62018275) is 1-[2-(3,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one is O=C(CN1CCCC1=O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is CJZDQDLLTORWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2/c13-9-4-3-8(6-10(9)14)11(16)7-15-5-1-2-12(15)17/h3-4,6H,1-2,5,7H2.
What are the key properties of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one?
1-[2-(3,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 239.22 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 62018275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).