3-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one

C8H13F2NO — CID 67257295

IUPAC3-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one
SMILESCCN1CCC(CC(F)F)C1=O
InChIInChI=1S/C8H13F2NO/c1-2-11-4-3-6(8(11)12)5-7(9)10/h6-7H,2-5H2,1H3
InChIKeyOXKRLZVWKOKROW-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.51
Rot. Bonds3

About 3-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one

3-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one (PubChem CID 67257295) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one
PubChem CID67257295
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name3-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one
SMILESCCN1CCC(CC(F)F)C1=O
InChIInChI=1S/C8H13F2NO/c1-2-11-4-3-6(8(11)12)5-7(9)10/h6-7H,2-5H2,1H3
InChIKeyOXKRLZVWKOKROW-UHFFFAOYSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one?
The IUPAC name of 3-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one (CID 67257295) is 3-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one.
What is the SMILES notation for 3-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one?
The canonical SMILES for 3-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one is CCN1CCC(CC(F)F)C1=O.
What is the InChIKey of 3-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one?
The InChIKey is OXKRLZVWKOKROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-2-11-4-3-6(8(11)12)5-7(9)10/h6-7H,2-5H2,1H3.
What are the key properties of 3-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one?
3-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one has a molecular weight of 177.19 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 67257295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).