5-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one

C8H13F2NO — CID 67253793

IUPAC5-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one
SMILESCCN1C(=O)CCC1CC(F)F
InChIInChI=1S/C8H13F2NO/c1-2-11-6(5-7(9)10)3-4-8(11)12/h6-7H,2-5H2,1H3
InChIKeyDUXXBYJTOZPJLG-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.65
Rot. Bonds3

About 5-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one

5-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one (PubChem CID 67253793) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one
PubChem CID67253793
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name5-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one
SMILESCCN1C(=O)CCC1CC(F)F
InChIInChI=1S/C8H13F2NO/c1-2-11-6(5-7(9)10)3-4-8(11)12/h6-7H,2-5H2,1H3
InChIKeyDUXXBYJTOZPJLG-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one?
The IUPAC name of 5-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one (CID 67253793) is 5-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one.
What is the SMILES notation for 5-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one?
The canonical SMILES for 5-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one is CCN1C(=O)CCC1CC(F)F.
What is the InChIKey of 5-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one?
The InChIKey is DUXXBYJTOZPJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-2-11-6(5-7(9)10)3-4-8(11)12/h6-7H,2-5H2,1H3.
What are the key properties of 5-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one?
5-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one has a molecular weight of 177.19 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 67253793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).