5-[3-(2,6-difluorophenyl)oxetan-3-yl]pyrrolidin-2-one

C13H13F2NO2 — CID 166445262

IUPAC5-[3-(2,6-difluorophenyl)oxetan-3-yl]pyrrolidin-2-one
SMILESO=C1CCC(C2(c3c(F)cccc3F)COC2)N1
InChIInChI=1S/C13H13F2NO2/c14-8-2-1-3-9(15)12(8)13(6-18-7-13)10-4-5-11(17)16-10/h1-3,10H,4-7H2,(H,16,17)
InChIKeyOLRYZAORPXEIQE-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.51
Rot. Bonds2

About 5-[3-(2,6-difluorophenyl)oxetan-3-yl]pyrrolidin-2-one

5-[3-(2,6-difluorophenyl)oxetan-3-yl]pyrrolidin-2-one (PubChem CID 166445262) has the molecular formula C13H13F2NO2 and a molecular weight of 253.25 g/mol. Its IUPAC name is 5-[3-(2,6-difluorophenyl)oxetan-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-(2,6-difluorophenyl)oxetan-3-yl]pyrrolidin-2-one
PubChem CID166445262
Molecular FormulaC13H13F2NO2
Molecular Weight253.25 g/mol
Exact Mass253.09
IUPAC Name5-[3-(2,6-difluorophenyl)oxetan-3-yl]pyrrolidin-2-one
SMILESO=C1CCC(C2(c3c(F)cccc3F)COC2)N1
InChIInChI=1S/C13H13F2NO2/c14-8-2-1-3-9(15)12(8)13(6-18-7-13)10-4-5-11(17)16-10/h1-3,10H,4-7H2,(H,16,17)
InChIKeyOLRYZAORPXEIQE-UHFFFAOYSA-N
XLogP1.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,6-difluorophenyl)oxetan-3-yl]pyrrolidin-2-one?
The IUPAC name of 5-[3-(2,6-difluorophenyl)oxetan-3-yl]pyrrolidin-2-one (CID 166445262) is 5-[3-(2,6-difluorophenyl)oxetan-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 5-[3-(2,6-difluorophenyl)oxetan-3-yl]pyrrolidin-2-one?
The canonical SMILES for 5-[3-(2,6-difluorophenyl)oxetan-3-yl]pyrrolidin-2-one is O=C1CCC(C2(c3c(F)cccc3F)COC2)N1.
What is the InChIKey of 5-[3-(2,6-difluorophenyl)oxetan-3-yl]pyrrolidin-2-one?
The InChIKey is OLRYZAORPXEIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO2/c14-8-2-1-3-9(15)12(8)13(6-18-7-13)10-4-5-11(17)16-10/h1-3,10H,4-7H2,(H,16,17).
What are the key properties of 5-[3-(2,6-difluorophenyl)oxetan-3-yl]pyrrolidin-2-one?
5-[3-(2,6-difluorophenyl)oxetan-3-yl]pyrrolidin-2-one has a molecular weight of 253.25 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,6-difluorophenyl)oxetan-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 166445262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).