1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrolidine-2,5-dione

C9H13F2NO3 — CID 106172524

IUPAC1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(CC(F)(F)CO)C(=O)C1C
InChIInChI=1S/C9H13F2NO3/c1-5-6(2)8(15)12(7(5)14)3-9(10,11)4-13/h5-6,13H,3-4H2,1-2H3
InChIKeyGQPPRUKKIMCASF-UHFFFAOYSA-N
MW221.20 g/mol
LogP0.25
Rot. Bonds3

About 1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrolidine-2,5-dione

1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 106172524) has the molecular formula C9H13F2NO3 and a molecular weight of 221.20 g/mol. Its IUPAC name is 1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID106172524
Molecular FormulaC9H13F2NO3
Molecular Weight221.20 g/mol
Exact Mass221.09
IUPAC Name1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(CC(F)(F)CO)C(=O)C1C
InChIInChI=1S/C9H13F2NO3/c1-5-6(2)8(15)12(7(5)14)3-9(10,11)4-13/h5-6,13H,3-4H2,1-2H3
InChIKeyGQPPRUKKIMCASF-UHFFFAOYSA-N
XLogP0.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrolidine-2,5-dione (CID 106172524) is 1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrolidine-2,5-dione is CC1C(=O)N(CC(F)(F)CO)C(=O)C1C.
What is the InChIKey of 1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is GQPPRUKKIMCASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO3/c1-5-6(2)8(15)12(7(5)14)3-9(10,11)4-13/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrolidine-2,5-dione?
1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 221.20 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-3-hydroxypropyl)-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 106172524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).