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

C6H6F3NO2 — CID 67217735

IUPAC1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC(F)(F)F
InChIInChI=1S/C6H6F3NO2/c7-6(8,9)3-10-4(11)1-2-5(10)12/h1-3H2
InChIKeyVQDTXOWYEKMFBA-UHFFFAOYSA-N
MW181.11 g/mol
LogP0.70
Rot. Bonds1

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

1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione (PubChem CID 67217735) has the molecular formula C6H6F3NO2 and a molecular weight of 181.11 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
PubChem CID67217735
Molecular FormulaC6H6F3NO2
Molecular Weight181.11 g/mol
Exact Mass181.04
IUPAC Name1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC(F)(F)F
InChIInChI=1S/C6H6F3NO2/c7-6(8,9)3-10-4(11)1-2-5(10)12/h1-3H2
InChIKeyVQDTXOWYEKMFBA-UHFFFAOYSA-N
XLogP0.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.11
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione (CID 67217735) is 1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1CC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione?
The InChIKey is VQDTXOWYEKMFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO2/c7-6(8,9)3-10-4(11)1-2-5(10)12/h1-3H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione?
1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione has a molecular weight of 181.11 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 67217735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).