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

C8H11F2NO3 — CID 58590238

IUPAC3,4-difluoro-1-(2-hydroxyethyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1(F)C(=O)N(CCO)C(=O)C1(C)F
InChIInChI=1S/C8H11F2NO3/c1-7(9)5(13)11(3-4-12)6(14)8(7,2)10/h12H,3-4H2,1-2H3
InChIKeyMBZMVSKTTNHFET-UHFFFAOYSA-N
MW207.18 g/mol
LogP-0.20
Rot. Bonds2

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

3,4-difluoro-1-(2-hydroxyethyl)-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 58590238) has the molecular formula C8H11F2NO3 and a molecular weight of 207.18 g/mol. Its IUPAC name is 3,4-difluoro-1-(2-hydroxyethyl)-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-difluoro-1-(2-hydroxyethyl)-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID58590238
Molecular FormulaC8H11F2NO3
Molecular Weight207.18 g/mol
Exact Mass207.07
IUPAC Name3,4-difluoro-1-(2-hydroxyethyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1(F)C(=O)N(CCO)C(=O)C1(C)F
InChIInChI=1S/C8H11F2NO3/c1-7(9)5(13)11(3-4-12)6(14)8(7,2)10/h12H,3-4H2,1-2H3
InChIKeyMBZMVSKTTNHFET-UHFFFAOYSA-N
XLogP-0.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 5-0.20
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 3,4-difluoro-1-(2-hydroxyethyl)-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 3,4-difluoro-1-(2-hydroxyethyl)-3,4-dimethylpyrrolidine-2,5-dione (CID 58590238) is 3,4-difluoro-1-(2-hydroxyethyl)-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-difluoro-1-(2-hydroxyethyl)-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 3,4-difluoro-1-(2-hydroxyethyl)-3,4-dimethylpyrrolidine-2,5-dione is CC1(F)C(=O)N(CCO)C(=O)C1(C)F.
What is the InChIKey of 3,4-difluoro-1-(2-hydroxyethyl)-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is MBZMVSKTTNHFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO3/c1-7(9)5(13)11(3-4-12)6(14)8(7,2)10/h12H,3-4H2,1-2H3.
What are the key properties of 3,4-difluoro-1-(2-hydroxyethyl)-3,4-dimethylpyrrolidine-2,5-dione?
3,4-difluoro-1-(2-hydroxyethyl)-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 207.18 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-1-(2-hydroxyethyl)-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 58590238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).