1-hydroxypyrrolidine-2,5-dione;trifluoromethanesulfonic acid

C5H6F3NO6S — CID 22721506

IUPAC1-hydroxypyrrolidine-2,5-dione;trifluoromethanesulfonic acid
SMILESO=C1CCC(=O)N1O.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C4H5NO3.CHF3O3S/c6-3-1-2-4(7)5(3)8;2-1(3,4)8(5,6)7/h8H,1-2H2;(H,5,6,7)
InChIKeyQPAWHGVDCJWYRJ-UHFFFAOYSA-N
MW265.16 g/mol
LogP-0.08
Rot. Bonds

About 1-hydroxypyrrolidine-2,5-dione;trifluoromethanesulfonic acid

1-hydroxypyrrolidine-2,5-dione;trifluoromethanesulfonic acid (PubChem CID 22721506) has the molecular formula C5H6F3NO6S and a molecular weight of 265.16 g/mol. Its IUPAC name is 1-hydroxypyrrolidine-2,5-dione;trifluoromethanesulfonic acid.

Molecular Properties

Compound Name1-hydroxypyrrolidine-2,5-dione;trifluoromethanesulfonic acid
PubChem CID22721506
Molecular FormulaC5H6F3NO6S
Molecular Weight265.16 g/mol
Exact Mass264.99
IUPAC Name1-hydroxypyrrolidine-2,5-dione;trifluoromethanesulfonic acid
SMILESO=C1CCC(=O)N1O.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C4H5NO3.CHF3O3S/c6-3-1-2-4(7)5(3)8;2-1(3,4)8(5,6)7/h8H,1-2H2;(H,5,6,7)
InChIKeyQPAWHGVDCJWYRJ-UHFFFAOYSA-N
XLogP-0.08
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrrolidine-2,5-dione;trifluoromethanesulfonic acid?
The IUPAC name of 1-hydroxypyrrolidine-2,5-dione;trifluoromethanesulfonic acid (CID 22721506) is 1-hydroxypyrrolidine-2,5-dione;trifluoromethanesulfonic acid.
What is the SMILES notation for 1-hydroxypyrrolidine-2,5-dione;trifluoromethanesulfonic acid?
The canonical SMILES for 1-hydroxypyrrolidine-2,5-dione;trifluoromethanesulfonic acid is O=C1CCC(=O)N1O.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of 1-hydroxypyrrolidine-2,5-dione;trifluoromethanesulfonic acid?
The InChIKey is QPAWHGVDCJWYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3.CHF3O3S/c6-3-1-2-4(7)5(3)8;2-1(3,4)8(5,6)7/h8H,1-2H2;(H,5,6,7).
What are the key properties of 1-hydroxypyrrolidine-2,5-dione;trifluoromethanesulfonic acid?
1-hydroxypyrrolidine-2,5-dione;trifluoromethanesulfonic acid has a molecular weight of 265.16 g/mol, XLogP of -0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrrolidine-2,5-dione;trifluoromethanesulfonic acid is sourced from PubChem (CID 22721506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).