5-(2,2-difluoroethyl)pyrrolidin-2-one

C6H9F2NO — CID 67255419

IUPAC5-(2,2-difluoroethyl)pyrrolidin-2-one
SMILESO=C1CCC(CC(F)F)N1
InChIInChI=1S/C6H9F2NO/c7-5(8)3-4-1-2-6(10)9-4/h4-5H,1-3H2,(H,9,10)
InChIKeyKKDOMMWANVLUHA-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.92
Rot. Bonds2

About 5-(2,2-difluoroethyl)pyrrolidin-2-one

5-(2,2-difluoroethyl)pyrrolidin-2-one (PubChem CID 67255419) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)pyrrolidin-2-one
PubChem CID67255419
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name5-(2,2-difluoroethyl)pyrrolidin-2-one
SMILESO=C1CCC(CC(F)F)N1
InChIInChI=1S/C6H9F2NO/c7-5(8)3-4-1-2-6(10)9-4/h4-5H,1-3H2,(H,9,10)
InChIKeyKKDOMMWANVLUHA-UHFFFAOYSA-N
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(2,2-difluoroethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)pyrrolidin-2-one?
The IUPAC name of 5-(2,2-difluoroethyl)pyrrolidin-2-one (CID 67255419) is 5-(2,2-difluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(2,2-difluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 5-(2,2-difluoroethyl)pyrrolidin-2-one is O=C1CCC(CC(F)F)N1.
What is the InChIKey of 5-(2,2-difluoroethyl)pyrrolidin-2-one?
The InChIKey is KKDOMMWANVLUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-5(8)3-4-1-2-6(10)9-4/h4-5H,1-3H2,(H,9,10).
What are the key properties of 5-(2,2-difluoroethyl)pyrrolidin-2-one?
5-(2,2-difluoroethyl)pyrrolidin-2-one has a molecular weight of 149.14 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 67255419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).