3-(trifluoromethyl)pyrrole-2,5-dione

C5H2F3NO2 — CID 21399352

IUPAC3-(trifluoromethyl)pyrrole-2,5-dione
SMILESO=C1C=C(C(F)(F)F)C(=O)N1
InChIInChI=1S/C5H2F3NO2/c6-5(7,8)2-1-3(10)9-4(2)11/h1H,(H,9,10,11)
InChIKeyPPEDISKVZOUUOY-UHFFFAOYSA-N
MW165.07 g/mol
LogP0.13
Rot. Bonds

About 3-(trifluoromethyl)pyrrole-2,5-dione

3-(trifluoromethyl)pyrrole-2,5-dione (PubChem CID 21399352) has the molecular formula C5H2F3NO2 and a molecular weight of 165.07 g/mol. Its IUPAC name is 3-(trifluoromethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(trifluoromethyl)pyrrole-2,5-dione
PubChem CID21399352
Molecular FormulaC5H2F3NO2
Molecular Weight165.07 g/mol
Exact Mass165.00
IUPAC Name3-(trifluoromethyl)pyrrole-2,5-dione
SMILESO=C1C=C(C(F)(F)F)C(=O)N1
InChIInChI=1S/C5H2F3NO2/c6-5(7,8)2-1-3(10)9-4(2)11/h1H,(H,9,10,11)
InChIKeyPPEDISKVZOUUOY-UHFFFAOYSA-N
XLogP0.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.07
LogP ≤ 50.13
H-Bond Donors ≤ 51
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 3-(trifluoromethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(trifluoromethyl)pyrrole-2,5-dione (CID 21399352) is 3-(trifluoromethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(trifluoromethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(trifluoromethyl)pyrrole-2,5-dione is O=C1C=C(C(F)(F)F)C(=O)N1.
What is the InChIKey of 3-(trifluoromethyl)pyrrole-2,5-dione?
The InChIKey is PPEDISKVZOUUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3NO2/c6-5(7,8)2-1-3(10)9-4(2)11/h1H,(H,9,10,11).
What are the key properties of 3-(trifluoromethyl)pyrrole-2,5-dione?
3-(trifluoromethyl)pyrrole-2,5-dione has a molecular weight of 165.07 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)pyrrole-2,5-dione is sourced from PubChem (CID 21399352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).