1-[3-(2,5-dioxopyrrol-1-yl)-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione

C15H7F3N2O4 — CID 141169954

IUPAC1-[3-(2,5-dioxopyrrol-1-yl)-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cccc(N2C(=O)C=CC2=O)c1C(F)(F)F
InChIInChI=1S/C15H7F3N2O4/c16-15(17,18)14-8(19-10(21)4-5-11(19)22)2-1-3-9(14)20-12(23)6-7-13(20)24/h1-7H
InChIKeyHXKWJMSRZUSPLN-UHFFFAOYSA-N
MW336.23 g/mol
LogP1.56
Rot. Bonds2

About 1-[3-(2,5-dioxopyrrol-1-yl)-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione

1-[3-(2,5-dioxopyrrol-1-yl)-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione (PubChem CID 141169954) has the molecular formula C15H7F3N2O4 and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-[3-(2,5-dioxopyrrol-1-yl)-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(2,5-dioxopyrrol-1-yl)-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
PubChem CID141169954
Molecular FormulaC15H7F3N2O4
Molecular Weight336.23 g/mol
Exact Mass336.04
IUPAC Name1-[3-(2,5-dioxopyrrol-1-yl)-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cccc(N2C(=O)C=CC2=O)c1C(F)(F)F
InChIInChI=1S/C15H7F3N2O4/c16-15(17,18)14-8(19-10(21)4-5-11(19)22)2-1-3-9(14)20-12(23)6-7-13(20)24/h1-7H
InChIKeyHXKWJMSRZUSPLN-UHFFFAOYSA-N
XLogP1.56
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-(2,5-dioxopyrrol-1-yl)-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[5-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]phenyl]pyrrole-2,5-dione
CID 141169978
1-(5-hydroxynaphthalen-1-yl)pyrrole-2,5-dione
CID 86153417
1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 60790484
ethane;1-(2-methylphenyl)pyrrole-2,5-dione
CID 67631676
1-(2-phenylsulfanylphenyl)pyrrole-2,5-dione
CID 2392352
1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-bis(trifluoromethyl)phenoxy]phenyl]pyrrole-2,5-dione
CID 141170020
1-[4-[2-[4-(2,5-dioxopyrrol-1-yl)-3-(trifluoromethyl)phenoxy]phenoxy]-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 141225813
2-(2,5-dioxopyrrol-1-yl)-6-methylbenzonitrile
CID 107799310
1-[2-(2,6-dimethylphenyl)phenyl]pyrrole-2,5-dione
CID 67802796
1-(2-methylsulfanylphenyl)pyrrole-2,5-dione
CID 708768
1-[2-[4-[2-[4-[2-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
CID 19774364
[2-(2,5-dioxopyrrol-1-yl)phenyl] carbamate
CID 68846324

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dioxopyrrol-1-yl)-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-(2,5-dioxopyrrol-1-yl)-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione (CID 141169954) is 1-[3-(2,5-dioxopyrrol-1-yl)-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(2,5-dioxopyrrol-1-yl)-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-(2,5-dioxopyrrol-1-yl)-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1cccc(N2C(=O)C=CC2=O)c1C(F)(F)F.
What is the InChIKey of 1-[3-(2,5-dioxopyrrol-1-yl)-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The InChIKey is HXKWJMSRZUSPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F3N2O4/c16-15(17,18)14-8(19-10(21)4-5-11(19)22)2-1-3-9(14)20-12(23)6-7-13(20)24/h1-7H.
What are the key properties of 1-[3-(2,5-dioxopyrrol-1-yl)-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
1-[3-(2,5-dioxopyrrol-1-yl)-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione has a molecular weight of 336.23 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dioxopyrrol-1-yl)-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 141169954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).