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

C9H13F2NO3 — CID 106172558

IUPAC1-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(CC(F)(F)CO)C1=O
InChIInChI=1S/C9H13F2NO3/c1-8(2)3-6(14)12(7(8)15)4-9(10,11)5-13/h13H,3-5H2,1-2H3
InChIKeyUPOSPRKAOZBYLM-UHFFFAOYSA-N
MW221.20 g/mol
LogP0.40
Rot. Bonds3

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

1-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 106172558) has the molecular formula C9H13F2NO3 and a molecular weight of 221.20 g/mol. Its IUPAC name is 1-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID106172558
Molecular FormulaC9H13F2NO3
Molecular Weight221.20 g/mol
Exact Mass221.09
IUPAC Name1-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(CC(F)(F)CO)C1=O
InChIInChI=1S/C9H13F2NO3/c1-8(2)3-6(14)12(7(8)15)4-9(10,11)5-13/h13H,3-5H2,1-2H3
InChIKeyUPOSPRKAOZBYLM-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
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)-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione (CID 106172558) is 1-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione is CC1(C)CC(=O)N(CC(F)(F)CO)C1=O.
What is the InChIKey of 1-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is UPOSPRKAOZBYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO3/c1-8(2)3-6(14)12(7(8)15)4-9(10,11)5-13/h13H,3-5H2,1-2H3.
What are the key properties of 1-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione?
1-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 221.20 g/mol, XLogP of 0.40, 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)-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 106172558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).