2-[2-(difluoromethoxy)-5-methylphenyl]isoindole-1,3-dione

C16H11F2NO3 — CID 168517756

IUPAC2-[2-(difluoromethoxy)-5-methylphenyl]isoindole-1,3-dione
SMILESCc1ccc(OC(F)F)c(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C16H11F2NO3/c1-9-6-7-13(22-16(17)18)12(8-9)19-14(20)10-4-2-3-5-11(10)15(19)21/h2-8,16H,1H3
InChIKeyOQHBAYVIDYZKMS-UHFFFAOYSA-N
MW303.26 g/mol
LogP3.40
Rot. Bonds3

About 2-[2-(difluoromethoxy)-5-methylphenyl]isoindole-1,3-dione

2-[2-(difluoromethoxy)-5-methylphenyl]isoindole-1,3-dione (PubChem CID 168517756) has the molecular formula C16H11F2NO3 and a molecular weight of 303.26 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-5-methylphenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)-5-methylphenyl]isoindole-1,3-dione
PubChem CID168517756
Molecular FormulaC16H11F2NO3
Molecular Weight303.26 g/mol
Exact Mass303.07
IUPAC Name2-[2-(difluoromethoxy)-5-methylphenyl]isoindole-1,3-dione
SMILESCc1ccc(OC(F)F)c(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C16H11F2NO3/c1-9-6-7-13(22-16(17)18)12(8-9)19-14(20)10-4-2-3-5-11(10)15(19)21/h2-8,16H,1H3
InChIKeyOQHBAYVIDYZKMS-UHFFFAOYSA-N
XLogP3.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(difluoromethoxy)-2-fluorophenyl]isoindole-1,3-dione
CID 168519425
2-(2-fluoro-4-methylphenyl)isoquinoline-1,3,4-trione
CID 101438443
2-(2-ethoxy-4-methylphenyl)isoindole-1,3-dione
CID 58758682
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 42967215
N-[2-(1,3-dioxoisoindol-2-yl)-4-methylphenyl]-2-methylpropanamide
CID 168516887
2-[(1S)-1-[2-(difluoromethoxy)phenyl]ethyl]isoindole-1,3-dione
CID 118168964
3-(1,3-dioxoisoindol-2-yl)-4-methoxybenzaldehyde
CID 168517187
2-(5-tert-butyl-2-methoxyphenyl)isoindole-1,3-dione
CID 56954690
1-(difluoromethoxy)-2-iodo-4-methylbenzene
CID 118823118
2-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]isoindole-1,3-dione
CID 130771607
2-[4-(2,2-difluoroethoxy)-2-methylphenyl]isoindole-1,3-dione
CID 168519278
2-[2-(difluoromethyl)phenyl]isoindole-1,3-dione
CID 168518946

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)-5-methylphenyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(difluoromethoxy)-5-methylphenyl]isoindole-1,3-dione (CID 168517756) is 2-[2-(difluoromethoxy)-5-methylphenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(difluoromethoxy)-5-methylphenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(difluoromethoxy)-5-methylphenyl]isoindole-1,3-dione is Cc1ccc(OC(F)F)c(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[2-(difluoromethoxy)-5-methylphenyl]isoindole-1,3-dione?
The InChIKey is OQHBAYVIDYZKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO3/c1-9-6-7-13(22-16(17)18)12(8-9)19-14(20)10-4-2-3-5-11(10)15(19)21/h2-8,16H,1H3.
What are the key properties of 2-[2-(difluoromethoxy)-5-methylphenyl]isoindole-1,3-dione?
2-[2-(difluoromethoxy)-5-methylphenyl]isoindole-1,3-dione has a molecular weight of 303.26 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)-5-methylphenyl]isoindole-1,3-dione is sourced from PubChem (CID 168517756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).