1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

C12H7F6NO2 — CID 2807570

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H7F6NO2/c13-11(14,15)6-3-7(12(16,17)18)5-8(4-6)19-9(20)1-2-10(19)21/h3-5H,1-2H2
InChIKeyVGYJDQULIDMYFT-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.38
Rot. Bonds1

About 1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (PubChem CID 2807570) has the molecular formula C12H7F6NO2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
PubChem CID2807570
Molecular FormulaC12H7F6NO2
Molecular Weight311.18 g/mol
Exact Mass311.04
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H7F6NO2/c13-11(14,15)6-3-7(12(16,17)18)5-8(4-6)19-9(20)1-2-10(19)21/h3-5H,1-2H2
InChIKeyVGYJDQULIDMYFT-UHFFFAOYSA-N
XLogP3.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-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

N-(4-Methylphenyl)succinimide
CID 75335
3',5'-Bis(trifluoromethyl)acetanilide
CID 723600
N-(3-Trifluoromethylphenyl)succinimide
CID 203867
1-(3-(Trifluoromethyl)phenyl)-1H-pyrrole-2,5-dione
CID 708502
1-(3-Methylphenyl)pyrrolidine-2,5-dione
CID 5150707
N-[3,5-Bis(trifluoromethyl)phenyl]maleimide
CID 2731334
2-Methylene-N-(m-tolyl)-succinimide
CID 99442
2-(3,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 2931043
(2S,6R)-4-[3,5-bis(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 44389070
1-[4-Fluoro-3-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 162538047
1-(2,4-Dimethylphenyl)pyrrolidine-2,5-dione
CID 265737
5-methyl-2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 2731157

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (CID 2807570) is 1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is VGYJDQULIDMYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F6NO2/c13-11(14,15)6-3-7(12(16,17)18)5-8(4-6)19-9(20)1-2-10(19)21/h3-5H,1-2H2.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 311.18 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2807570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).