1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione

C7H6F3NO2 — CID 60977137

IUPAC1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCC(F)(F)F
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)3-4-11-5(12)1-2-6(11)13/h1-2H,3-4H2
InChIKeyLUSFJIHBONMYBJ-UHFFFAOYSA-N
MW193.12 g/mol
LogP0.86
Rot. Bonds2

About 1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione

1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione (PubChem CID 60977137) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione
PubChem CID60977137
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCC(F)(F)F
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)3-4-11-5(12)1-2-6(11)13/h1-2H,3-4H2
InChIKeyLUSFJIHBONMYBJ-UHFFFAOYSA-N
XLogP0.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Ethylmaleimide
CID 4362
N-Allylmaleimide
CID 18098
1-Propyl-1H-pyrrole-2,5-dione
CID 89033
1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 19821160
N-Ethyl-d5-maleimide
CID 71309877
2H-Pyrrol-2-one, 5,5-difluoro-1,5-dihydro-1-methyl-
CID 11263511
1-Methyl-3-(trifluoromethyl)pyrrole-2,5-dione
CID 18513440
1-(2,2,3,4,4,4-Hexafluorobutyl)pyrrole-2,5-dione
CID 19821162
1-(2,2,3,3-Tetrafluoropropyl)pyrrole-2,5-dione
CID 19821163
3-Fluoro-1-methylpyrrole-2,5-dione
CID 19830283
1-(Trifluoromethyl)-3-pyrroline-2,5-dione
CID 22182915
1-(Fluoromethyl)pyrrole-2,5-dione
CID 54232428

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione (CID 60977137) is 1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CCC(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione?
The InChIKey is LUSFJIHBONMYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c8-7(9,10)3-4-11-5(12)1-2-6(11)13/h1-2H,3-4H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione?
1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione has a molecular weight of 193.12 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione is sourced from PubChem (CID 60977137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).