2-[3,5-difluoro-4-(trifluoromethyl)phenyl]isoindole-1,3-dione

C15H6F5NO2 — CID 168516425

IUPAC2-[3,5-difluoro-4-(trifluoromethyl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc(F)c(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H6F5NO2/c16-10-5-7(6-11(17)12(10)15(18,19)20)21-13(22)8-3-1-2-4-9(8)14(21)23/h1-6H
InChIKeyDLJUXQSATGDKAM-UHFFFAOYSA-N
MW327.21 g/mol
LogP3.78
Rot. Bonds1

About 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]isoindole-1,3-dione

2-[3,5-difluoro-4-(trifluoromethyl)phenyl]isoindole-1,3-dione (PubChem CID 168516425) has the molecular formula C15H6F5NO2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3,5-difluoro-4-(trifluoromethyl)phenyl]isoindole-1,3-dione
PubChem CID168516425
Molecular FormulaC15H6F5NO2
Molecular Weight327.21 g/mol
Exact Mass327.03
IUPAC Name2-[3,5-difluoro-4-(trifluoromethyl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc(F)c(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H6F5NO2/c16-10-5-7(6-11(17)12(10)15(18,19)20)21-13(22)8-3-1-2-4-9(8)14(21)23/h1-6H
InChIKeyDLJUXQSATGDKAM-UHFFFAOYSA-N
XLogP3.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]isoindole-1,3-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

2-[3,5-bis(trifluoromethyl)phenyl]isoquinoline-1,3,4-trione
CID 10715230
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
2-[4-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 59128028
2-(2,3,5,6-tetrafluorophenyl)isoindole-1,3-dione
CID 168516039
1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene
CID 118846513
3-(1,3-dioxoisoindol-2-yl)-5-fluorobenzamide
CID 168517087
2-[2-fluoro-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 168516014
2-[3-(4-fluorophenyl)phenyl]isoindole-1,3-dione
CID 168517354
2-(4-amino-2,6-difluorophenyl)isoindole-1,3-dione
CID 58758353
2-(3-fluoro-4-thiomorpholin-4-ylphenyl)isoindole-1,3-dione
CID 168516267
2-[4-ethoxy-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 168516160
2-(bromomethyl)-4-(1,3-dioxoisoindol-2-yl)-6-(trifluoromethyl)benzonitrile
CID 67032978

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]isoindole-1,3-dione (CID 168516425) is 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cc(F)c(C(F)(F)F)c(F)c1.
What is the InChIKey of 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]isoindole-1,3-dione?
The InChIKey is DLJUXQSATGDKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6F5NO2/c16-10-5-7(6-11(17)12(10)15(18,19)20)21-13(22)8-3-1-2-4-9(8)14(21)23/h1-6H.
What are the key properties of 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]isoindole-1,3-dione?
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]isoindole-1,3-dione has a molecular weight of 327.21 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168516425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).