1-(2,2-difluoroethyl)pyrrolidine-2,5-dione

C6H7F2NO2 — CID 86668441

IUPAC1-(2,2-difluoroethyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC(F)F
InChIInChI=1S/C6H7F2NO2/c7-4(8)3-9-5(10)1-2-6(9)11/h4H,1-3H2
InChIKeyUZUQWSSXQWQDAP-UHFFFAOYSA-N
MW163.12 g/mol
LogP0.40
Rot. Bonds2

About 1-(2,2-difluoroethyl)pyrrolidine-2,5-dione

1-(2,2-difluoroethyl)pyrrolidine-2,5-dione (PubChem CID 86668441) has the molecular formula C6H7F2NO2 and a molecular weight of 163.12 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)pyrrolidine-2,5-dione
PubChem CID86668441
Molecular FormulaC6H7F2NO2
Molecular Weight163.12 g/mol
Exact Mass163.04
IUPAC Name1-(2,2-difluoroethyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC(F)F
InChIInChI=1S/C6H7F2NO2/c7-4(8)3-9-5(10)1-2-6(9)11/h4H,1-3H2
InChIKeyUZUQWSSXQWQDAP-UHFFFAOYSA-N
XLogP0.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.12
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,2-difluoroethyl)pyrrolidine-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

Related Compounds

N-Methylsuccinimide
CID 70717
N-Ethylsuccinimide
CID 16842
N-Propylsuccinimide
CID 18983
3,3-Difluoro-1-methylpyrrolidin-2-one
CID 45087645
N-(Trifluoroacetyl)succinimide
CID 11116939
Trifluoro pyrrolidone
CID 129721996
N-(trifluorosilylmethyl)succinimide
CID 129762996
2-Oxopyrrolidine-1-carbonyl fluoride
CID 135004141
1-(2,2,2-Trifluoroacetyl)pyrrolidin-2-one
CID 13294158
N-methyl-tetrafluorosuccinimid
CID 13581311
1-(Trifluoromethyl)pyrrolidine-2,5-dione
CID 17856321
1-(2,2,2-Trifluoroethyl)pyrrolidinone
CID 21076220

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2,2-difluoroethyl)pyrrolidine-2,5-dione (CID 86668441) is 1-(2,2-difluoroethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,2-difluoroethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,2-difluoroethyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)pyrrolidine-2,5-dione?
The InChIKey is UZUQWSSXQWQDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO2/c7-4(8)3-9-5(10)1-2-6(9)11/h4H,1-3H2.
What are the key properties of 1-(2,2-difluoroethyl)pyrrolidine-2,5-dione?
1-(2,2-difluoroethyl)pyrrolidine-2,5-dione has a molecular weight of 163.12 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 86668441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).