5-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione

C15H9F2NO2 — CID 768086

IUPAC5-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccc(F)cc2C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C15H9F2NO2/c16-10-3-1-9(2-4-10)8-18-14(19)12-6-5-11(17)7-13(12)15(18)20/h1-7H,8H2
InChIKeyGXRMWKWMUAKKRE-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.76
Rot. Bonds2

About 5-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione

5-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione (PubChem CID 768086) has the molecular formula C15H9F2NO2 and a molecular weight of 273.24 g/mol. Its IUPAC name is 5-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
PubChem CID768086
Molecular FormulaC15H9F2NO2
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name5-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccc(F)cc2C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C15H9F2NO2/c16-10-3-1-9(2-4-10)8-18-14(19)12-6-5-11(17)7-13(12)15(18)20/h1-7H,8H2
InChIKeyGXRMWKWMUAKKRE-UHFFFAOYSA-N
XLogP2.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-[(4-fluorophenyl)methyl]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-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione
CID 28777
Phthalimide
CID 6809
N-Methylphthalimide
CID 11074
N-Hydroxyphthalimide
CID 10665
Phthalimidine
CID 10199
2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)-4-piperidinyl)methyl)-2,3-dihydro-1H-isoindol-1-one
CID 9799284
N-(2,3-Epoxypropyl)phthalimide
CID 21601
Isopropylphthalimide
CID 67535
N-(hydroxymethyl)phthalimide
CID 8354
N-Butylphthalimide
CID 73812
Chloromethylphthalimide
CID 87154
N-Ethylphthalimide
CID 21120

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 5-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione (CID 768086) is 5-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 5-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 5-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione is O=C1c2ccc(F)cc2C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 5-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione?
The InChIKey is GXRMWKWMUAKKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2NO2/c16-10-3-1-9(2-4-10)8-18-14(19)12-6-5-11(17)7-13(12)15(18)20/h1-7H,8H2.
What are the key properties of 5-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione?
5-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione has a molecular weight of 273.24 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 768086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).