2-[4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]butanamide

C11H18F2N2O2 — CID 22387039

IUPAC2-[4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CC(CC(C)(F)F)CC1=O
InChIInChI=1S/C11H18F2N2O2/c1-3-8(10(14)17)15-6-7(4-9(15)16)5-11(2,12)13/h7-8H,3-6H2,1-2H3,(H2,14,17)
InChIKeyCLQMDQNDMBXQCU-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.14
Rot. Bonds5

About 2-[4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]butanamide

2-[4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]butanamide (PubChem CID 22387039) has the molecular formula C11H18F2N2O2 and a molecular weight of 248.27 g/mol. Its IUPAC name is 2-[4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]butanamide
PubChem CID22387039
Molecular FormulaC11H18F2N2O2
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name2-[4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CC(CC(C)(F)F)CC1=O
InChIInChI=1S/C11H18F2N2O2/c1-3-8(10(14)17)15-6-7(4-9(15)16)5-11(2,12)13/h7-8H,3-6H2,1-2H3,(H2,14,17)
InChIKeyCLQMDQNDMBXQCU-UHFFFAOYSA-N
XLogP1.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]butanamide 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 2-[4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]butanamide?
The IUPAC name of 2-[4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]butanamide (CID 22387039) is 2-[4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]butanamide.
What is the SMILES notation for 2-[4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]butanamide?
The canonical SMILES for 2-[4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]butanamide is CCC(C(N)=O)N1CC(CC(C)(F)F)CC1=O.
What is the InChIKey of 2-[4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]butanamide?
The InChIKey is CLQMDQNDMBXQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O2/c1-3-8(10(14)17)15-6-7(4-9(15)16)5-11(2,12)13/h7-8H,3-6H2,1-2H3,(H2,14,17).
What are the key properties of 2-[4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]butanamide?
2-[4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]butanamide has a molecular weight of 248.27 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]butanamide is sourced from PubChem (CID 22387039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).