5-(2,6-difluorophenyl)-5-hydroxy-1-methylpyrrolidin-2-one

C11H11F2NO2 — CID 154364843

IUPAC5-(2,6-difluorophenyl)-5-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1(O)c1c(F)cccc1F
InChIInChI=1S/C11H11F2NO2/c1-14-9(15)5-6-11(14,16)10-7(12)3-2-4-8(10)13/h2-4,16H,5-6H2,1H3
InChIKeyBVXHABSJUCBCGD-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.36
Rot. Bonds1

About 5-(2,6-difluorophenyl)-5-hydroxy-1-methylpyrrolidin-2-one

5-(2,6-difluorophenyl)-5-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 154364843) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-5-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-5-hydroxy-1-methylpyrrolidin-2-one
PubChem CID154364843
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name5-(2,6-difluorophenyl)-5-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1(O)c1c(F)cccc1F
InChIInChI=1S/C11H11F2NO2/c1-14-9(15)5-6-11(14,16)10-7(12)3-2-4-8(10)13/h2-4,16H,5-6H2,1H3
InChIKeyBVXHABSJUCBCGD-UHFFFAOYSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-5-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of 5-(2,6-difluorophenyl)-5-hydroxy-1-methylpyrrolidin-2-one (CID 154364843) is 5-(2,6-difluorophenyl)-5-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(2,6-difluorophenyl)-5-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-(2,6-difluorophenyl)-5-hydroxy-1-methylpyrrolidin-2-one is CN1C(=O)CCC1(O)c1c(F)cccc1F.
What is the InChIKey of 5-(2,6-difluorophenyl)-5-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is BVXHABSJUCBCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c1-14-9(15)5-6-11(14,16)10-7(12)3-2-4-8(10)13/h2-4,16H,5-6H2,1H3.
What are the key properties of 5-(2,6-difluorophenyl)-5-hydroxy-1-methylpyrrolidin-2-one?
5-(2,6-difluorophenyl)-5-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 227.21 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-5-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 154364843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).