1-(3-amino-2,2-difluoropropyl)-3,4-dimethylpyrrole-2,5-dione

C9H12F2N2O2 — CID 114384586

IUPAC1-(3-amino-2,2-difluoropropyl)-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(CC(F)(F)CN)C1=O
InChIInChI=1S/C9H12F2N2O2/c1-5-6(2)8(15)13(7(5)14)4-9(10,11)3-12/h3-4,12H2,1-2H3
InChIKeyBEMVOADILYUERH-UHFFFAOYSA-N
MW218.20 g/mol
LogP0.29
Rot. Bonds3

About 1-(3-amino-2,2-difluoropropyl)-3,4-dimethylpyrrole-2,5-dione

1-(3-amino-2,2-difluoropropyl)-3,4-dimethylpyrrole-2,5-dione (PubChem CID 114384586) has the molecular formula C9H12F2N2O2 and a molecular weight of 218.20 g/mol. Its IUPAC name is 1-(3-amino-2,2-difluoropropyl)-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-amino-2,2-difluoropropyl)-3,4-dimethylpyrrole-2,5-dione
PubChem CID114384586
Molecular FormulaC9H12F2N2O2
Molecular Weight218.20 g/mol
Exact Mass218.09
IUPAC Name1-(3-amino-2,2-difluoropropyl)-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(CC(F)(F)CN)C1=O
InChIInChI=1S/C9H12F2N2O2/c1-5-6(2)8(15)13(7(5)14)4-9(10,11)3-12/h3-4,12H2,1-2H3
InChIKeyBEMVOADILYUERH-UHFFFAOYSA-N
XLogP0.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-amino-2,2-difluoropropyl)-3,4-dimethylpyrrole-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

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,2-difluoropropyl)-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-(3-amino-2,2-difluoropropyl)-3,4-dimethylpyrrole-2,5-dione (CID 114384586) is 1-(3-amino-2,2-difluoropropyl)-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-(3-amino-2,2-difluoropropyl)-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-(3-amino-2,2-difluoropropyl)-3,4-dimethylpyrrole-2,5-dione is CC1=C(C)C(=O)N(CC(F)(F)CN)C1=O.
What is the InChIKey of 1-(3-amino-2,2-difluoropropyl)-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is BEMVOADILYUERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2/c1-5-6(2)8(15)13(7(5)14)4-9(10,11)3-12/h3-4,12H2,1-2H3.
What are the key properties of 1-(3-amino-2,2-difluoropropyl)-3,4-dimethylpyrrole-2,5-dione?
1-(3-amino-2,2-difluoropropyl)-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 218.20 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,2-difluoropropyl)-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 114384586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).