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

C15H9F2NO2 — CID 67482283

IUPAC4-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2cccc(F)c2C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C15H9F2NO2/c16-10-6-4-9(5-7-10)8-18-14(19)11-2-1-3-12(17)13(11)15(18)20/h1-7H,8H2
InChIKeyGTQPJJAHAYMIGL-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.76
Rot. Bonds2

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

4-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione (PubChem CID 67482283) has the molecular formula C15H9F2NO2 and a molecular weight of 273.24 g/mol. Its IUPAC name is 4-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
PubChem CID67482283
Molecular FormulaC15H9F2NO2
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name4-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2cccc(F)c2C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C15H9F2NO2/c16-10-6-4-9(5-7-10)8-18-14(19)11-2-1-3-12(17)13(11)15(18)20/h1-7H,8H2
InChIKeyGTQPJJAHAYMIGL-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'}

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Related Compounds

2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 113082355
2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid
CID 130161137
4-amino-2-[(3-fluoro-4-methylphenyl)methyl]isoindole-1,3-dione
CID 63644863
3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide
CID 113202778
2-[[3-(4-fluorophenyl)phenyl]methyl]isoindole-1,3-dione
CID 174552693
4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione
CID 42485012
4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione
CID 22247872
2-[(2,5-difluorophenyl)methyl]-4-iodoisoindole-1,3-dione
CID 79782206
4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione;hydrochloride
CID 22247871
2-[(4-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 20866740
4-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 62135589

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 4-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione (CID 67482283) is 4-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 4-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 4-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione is O=C1c2cccc(F)c2C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 4-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione?
The InChIKey is GTQPJJAHAYMIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2NO2/c16-10-6-4-9(5-7-10)8-18-14(19)11-2-1-3-12(17)13(11)15(18)20/h1-7H,8H2.
What are the key properties of 4-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione?
4-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 4-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 67482283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).