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

C5H4F3NO4S — CID 151849656

IUPAC1-(trifluoromethylsulfonyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H4F3NO4S/c6-5(7,8)14(12,13)9-3(10)1-2-4(9)11/h1-2H2
InChIKeySIJZJJDKLWGIPP-UHFFFAOYSA-N
MW231.15 g/mol
LogP-0.01
Rot. Bonds1

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

1-(trifluoromethylsulfonyl)pyrrolidine-2,5-dione (PubChem CID 151849656) has the molecular formula C5H4F3NO4S and a molecular weight of 231.15 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(trifluoromethylsulfonyl)pyrrolidine-2,5-dione
PubChem CID151849656
Molecular FormulaC5H4F3NO4S
Molecular Weight231.15 g/mol
Exact Mass230.98
IUPAC Name1-(trifluoromethylsulfonyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H4F3NO4S/c6-5(7,8)14(12,13)9-3(10)1-2-4(9)11/h1-2H2
InChIKeySIJZJJDKLWGIPP-UHFFFAOYSA-N
XLogP-0.01
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(trifluoromethylsulfonyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(trifluoromethylsulfonyl)pyrrolidine-2,5-dione (CID 151849656) is 1-(trifluoromethylsulfonyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(trifluoromethylsulfonyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(trifluoromethylsulfonyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfonyl)pyrrolidine-2,5-dione?
The InChIKey is SIJZJJDKLWGIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO4S/c6-5(7,8)14(12,13)9-3(10)1-2-4(9)11/h1-2H2.
What are the key properties of 1-(trifluoromethylsulfonyl)pyrrolidine-2,5-dione?
1-(trifluoromethylsulfonyl)pyrrolidine-2,5-dione has a molecular weight of 231.15 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 151849656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).