2-[2-(difluoromethyl)phenyl]isoindole-1,3-dione

C15H9F2NO2 — CID 168518946

IUPAC2-[2-(difluoromethyl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccccc1C(F)F
InChIInChI=1S/C15H9F2NO2/c16-13(17)11-7-3-4-8-12(11)18-14(19)9-5-1-2-6-10(9)15(18)20/h1-8,13H
InChIKeyQCRWEPGRJGIKER-UHFFFAOYSA-N
MW273.24 g/mol
LogP3.42
Rot. Bonds2

About 2-[2-(difluoromethyl)phenyl]isoindole-1,3-dione

2-[2-(difluoromethyl)phenyl]isoindole-1,3-dione (PubChem CID 168518946) has the molecular formula C15H9F2NO2 and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(difluoromethyl)phenyl]isoindole-1,3-dione
PubChem CID168518946
Molecular FormulaC15H9F2NO2
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name2-[2-(difluoromethyl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccccc1C(F)F
InChIInChI=1S/C15H9F2NO2/c16-13(17)11-7-3-4-8-12(11)18-14(19)9-5-1-2-6-10(9)15(18)20/h1-8,13H
InChIKeyQCRWEPGRJGIKER-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
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-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione
CID 1109044
2-[2-(2,2-difluoroethoxy)phenyl]isoindole-1,3-dione
CID 168516856
5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione
CID 11778411
2-[3-(difluoromethoxy)-2-fluorophenyl]isoindole-1,3-dione
CID 168519425
2-(2-aminophenyl)isoindole-1,3-dione;hydrate
CID 45045681
2-(3-fluoro-2-iodophenyl)isoindole-1,3-dione
CID 114259645
2-[2-(trifluoromethoxysulfanyl)phenyl]isoindole-1,3-dione
CID 1218179
2-[2-(1-aminoethyl)phenyl]-5-methylisoindole-1,3-dione
CID 43653732
2-[3-(1,3-dioxoisoindol-2-yl)-1,4-dioxonaphthalen-2-yl]isoindole-1,3-dione
CID 13330620
2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione
CID 2813240
2-(2-ethylsulfanylphenyl)isoindole-1,3-dione
CID 168517377
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(difluoromethyl)phenyl]isoindole-1,3-dione (CID 168518946) is 2-[2-(difluoromethyl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(difluoromethyl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(difluoromethyl)phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccccc1C(F)F.
What is the InChIKey of 2-[2-(difluoromethyl)phenyl]isoindole-1,3-dione?
The InChIKey is QCRWEPGRJGIKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2NO2/c16-13(17)11-7-3-4-8-12(11)18-14(19)9-5-1-2-6-10(9)15(18)20/h1-8,13H.
What are the key properties of 2-[2-(difluoromethyl)phenyl]isoindole-1,3-dione?
2-[2-(difluoromethyl)phenyl]isoindole-1,3-dione has a molecular weight of 273.24 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168518946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).