4-(2,2-difluoroethyl)-1-(hydroxymethyl)pyrrolidin-2-one

C7H11F2NO2 — CID 67116466

IUPAC4-(2,2-difluoroethyl)-1-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CC(F)F)CN1CO
InChIInChI=1S/C7H11F2NO2/c8-6(9)1-5-2-7(12)10(3-5)4-11/h5-6,11H,1-4H2
InChIKeyPOJPVSHPKAFKHU-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.44
Rot. Bonds3

About 4-(2,2-difluoroethyl)-1-(hydroxymethyl)pyrrolidin-2-one

4-(2,2-difluoroethyl)-1-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 67116466) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-1-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-1-(hydroxymethyl)pyrrolidin-2-one
PubChem CID67116466
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name4-(2,2-difluoroethyl)-1-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CC(F)F)CN1CO
InChIInChI=1S/C7H11F2NO2/c8-6(9)1-5-2-7(12)10(3-5)4-11/h5-6,11H,1-4H2
InChIKeyPOJPVSHPKAFKHU-UHFFFAOYSA-N
XLogP0.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-1-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 4-(2,2-difluoroethyl)-1-(hydroxymethyl)pyrrolidin-2-one (CID 67116466) is 4-(2,2-difluoroethyl)-1-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2,2-difluoroethyl)-1-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2,2-difluoroethyl)-1-(hydroxymethyl)pyrrolidin-2-one is O=C1CC(CC(F)F)CN1CO.
What is the InChIKey of 4-(2,2-difluoroethyl)-1-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is POJPVSHPKAFKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c8-6(9)1-5-2-7(12)10(3-5)4-11/h5-6,11H,1-4H2.
What are the key properties of 4-(2,2-difluoroethyl)-1-(hydroxymethyl)pyrrolidin-2-one?
4-(2,2-difluoroethyl)-1-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 179.17 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-1-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 67116466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).