1-(2-amino-4,6-difluorophenyl)pyrrolidin-2-one

C10H10F2N2O — CID 81310286

IUPAC1-(2-amino-4,6-difluorophenyl)pyrrolidin-2-one
SMILESNc1cc(F)cc(F)c1N1CCCC1=O
InChIInChI=1S/C10H10F2N2O/c11-6-4-7(12)10(8(13)5-6)14-3-1-2-9(14)15/h4-5H,1-3,13H2
InChIKeySPTGJVUOYOPDEX-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.67
Rot. Bonds1

About 1-(2-amino-4,6-difluorophenyl)pyrrolidin-2-one

1-(2-amino-4,6-difluorophenyl)pyrrolidin-2-one (PubChem CID 81310286) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is 1-(2-amino-4,6-difluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-4,6-difluorophenyl)pyrrolidin-2-one
PubChem CID81310286
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name1-(2-amino-4,6-difluorophenyl)pyrrolidin-2-one
SMILESNc1cc(F)cc(F)c1N1CCCC1=O
InChIInChI=1S/C10H10F2N2O/c11-6-4-7(12)10(8(13)5-6)14-3-1-2-9(14)15/h4-5H,1-3,13H2
InChIKeySPTGJVUOYOPDEX-UHFFFAOYSA-N
XLogP1.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-amino-4,6-difluorophenyl)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 1-(2-amino-4,6-difluorophenyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-amino-4,6-difluorophenyl)pyrrolidin-2-one (CID 81310286) is 1-(2-amino-4,6-difluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-amino-4,6-difluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-amino-4,6-difluorophenyl)pyrrolidin-2-one is Nc1cc(F)cc(F)c1N1CCCC1=O.
What is the InChIKey of 1-(2-amino-4,6-difluorophenyl)pyrrolidin-2-one?
The InChIKey is SPTGJVUOYOPDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O/c11-6-4-7(12)10(8(13)5-6)14-3-1-2-9(14)15/h4-5H,1-3,13H2.
What are the key properties of 1-(2-amino-4,6-difluorophenyl)pyrrolidin-2-one?
1-(2-amino-4,6-difluorophenyl)pyrrolidin-2-one has a molecular weight of 212.20 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,6-difluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 81310286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).