3-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]-1-methylpyrrolidine-2,5-dione

C10H12F2N2O4 — CID 106492708

IUPAC3-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCC2CC(F)(F)C(=O)O2)C1=O
InChIInChI=1S/C10H12F2N2O4/c1-14-7(15)2-6(8(14)16)13-4-5-3-10(11,12)9(17)18-5/h5-6,13H,2-4H2,1H3
InChIKeyUVXFWKQFNRZAFD-UHFFFAOYSA-N
MW262.21 g/mol
LogP-0.72
Rot. Bonds3

About 3-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]-1-methylpyrrolidine-2,5-dione

3-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]-1-methylpyrrolidine-2,5-dione (PubChem CID 106492708) has the molecular formula C10H12F2N2O4 and a molecular weight of 262.21 g/mol. Its IUPAC name is 3-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]-1-methylpyrrolidine-2,5-dione
PubChem CID106492708
Molecular FormulaC10H12F2N2O4
Molecular Weight262.21 g/mol
Exact Mass262.08
IUPAC Name3-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCC2CC(F)(F)C(=O)O2)C1=O
InChIInChI=1S/C10H12F2N2O4/c1-14-7(15)2-6(8(14)16)13-4-5-3-10(11,12)9(17)18-5/h5-6,13H,2-4H2,1H3
InChIKeyUVXFWKQFNRZAFD-UHFFFAOYSA-N
XLogP-0.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]-1-methylpyrrolidine-2,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

3,3-difluoro-5-[[(3-methylcyclobutyl)amino]methyl]oxolan-2-one
CID 106492902
1-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)pyrrolidine-2,5-dione
CID 102897435
5-[(2,2-dimethylhydrazinyl)methyl]-3,3-difluorooxolan-2-one
CID 106492839
3,3-difluoro-5-[[(2-methylcyclohexyl)amino]methyl]oxolan-2-one
CID 106492308
5-[[(2-ethylcyclohexyl)amino]methyl]-3,3-difluorooxolan-2-one
CID 106492476
5-[(2-aminoethylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492558
5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-3,3-difluorooxolan-2-one
CID 114118984
1-methyl-3-(piperidin-2-ylmethylamino)pyrrolidine-2,5-dione
CID 106634067
3,3-difluoro-5-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]oxolan-2-one
CID 106189900
3,3-difluoro-5-[(2-methylprop-2-enylamino)methyl]oxolan-2-one
CID 106492972
5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492809
5-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-3,3-difluorooxolan-2-one
CID 106492486

Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]-1-methylpyrrolidine-2,5-dione (CID 106492708) is 3-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(NCC2CC(F)(F)C(=O)O2)C1=O.
What is the InChIKey of 3-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is UVXFWKQFNRZAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O4/c1-14-7(15)2-6(8(14)16)13-4-5-3-10(11,12)9(17)18-5/h5-6,13H,2-4H2,1H3.
What are the key properties of 3-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]-1-methylpyrrolidine-2,5-dione?
3-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 262.21 g/mol, XLogP of -0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 106492708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).