pyrrolidine-2,5-dione;2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide

C8H11F3N2O4 — CID 162092900

IUPACpyrrolidine-2,5-dione;2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
SMILESO=C(NCCO)C(F)(F)F.O=C1CCC(=O)N1
InChIInChI=1S/C4H6F3NO2.C4H5NO2/c5-4(6,7)3(10)8-1-2-9;6-3-1-2-4(7)5-3/h9H,1-2H2,(H,8,10);1-2H2,(H,5,6,7)
InChIKeyZDVWMSIKMMBQOZ-UHFFFAOYSA-N
MW256.18 g/mol
LogP-0.92
Rot. Bonds2

About pyrrolidine-2,5-dione;2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide

pyrrolidine-2,5-dione;2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide (PubChem CID 162092900) has the molecular formula C8H11F3N2O4 and a molecular weight of 256.18 g/mol. Its IUPAC name is pyrrolidine-2,5-dione;2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Namepyrrolidine-2,5-dione;2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
PubChem CID162092900
Molecular FormulaC8H11F3N2O4
Molecular Weight256.18 g/mol
Exact Mass256.07
IUPAC Namepyrrolidine-2,5-dione;2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
SMILESO=C(NCCO)C(F)(F)F.O=C1CCC(=O)N1
InChIInChI=1S/C4H6F3NO2.C4H5NO2/c5-4(6,7)3(10)8-1-2-9;6-3-1-2-4(7)5-3/h9H,1-2H2,(H,8,10);1-2H2,(H,5,6,7)
InChIKeyZDVWMSIKMMBQOZ-UHFFFAOYSA-N
XLogP-0.92
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
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 pyrrolidine-2,5-dione;2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide?
The IUPAC name of pyrrolidine-2,5-dione;2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide (CID 162092900) is pyrrolidine-2,5-dione;2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for pyrrolidine-2,5-dione;2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for pyrrolidine-2,5-dione;2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide is O=C(NCCO)C(F)(F)F.O=C1CCC(=O)N1.
What is the InChIKey of pyrrolidine-2,5-dione;2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide?
The InChIKey is ZDVWMSIKMMBQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO2.C4H5NO2/c5-4(6,7)3(10)8-1-2-9;6-3-1-2-4(7)5-3/h9H,1-2H2,(H,8,10);1-2H2,(H,5,6,7).
What are the key properties of pyrrolidine-2,5-dione;2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide?
pyrrolidine-2,5-dione;2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide has a molecular weight of 256.18 g/mol, XLogP of -0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-2,5-dione;2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 162092900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).