2-(3-ethoxy-2,6-difluorophenyl)isoindole-1,3-dione

C16H11F2NO3 — CID 168517399

IUPAC2-(3-ethoxy-2,6-difluorophenyl)isoindole-1,3-dione
SMILESCCOc1ccc(F)c(N2C(=O)c3ccccc3C2=O)c1F
InChIInChI=1S/C16H11F2NO3/c1-2-22-12-8-7-11(17)14(13(12)18)19-15(20)9-5-3-4-6-10(9)16(19)21/h3-8H,2H2,1H3
InChIKeyZLIXPQPNCRIMCY-UHFFFAOYSA-N
MW303.26 g/mol
LogP3.16
Rot. Bonds3

About 2-(3-ethoxy-2,6-difluorophenyl)isoindole-1,3-dione

2-(3-ethoxy-2,6-difluorophenyl)isoindole-1,3-dione (PubChem CID 168517399) has the molecular formula C16H11F2NO3 and a molecular weight of 303.26 g/mol. Its IUPAC name is 2-(3-ethoxy-2,6-difluorophenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-ethoxy-2,6-difluorophenyl)isoindole-1,3-dione
PubChem CID168517399
Molecular FormulaC16H11F2NO3
Molecular Weight303.26 g/mol
Exact Mass303.07
IUPAC Name2-(3-ethoxy-2,6-difluorophenyl)isoindole-1,3-dione
SMILESCCOc1ccc(F)c(N2C(=O)c3ccccc3C2=O)c1F
InChIInChI=1S/C16H11F2NO3/c1-2-22-12-8-7-11(17)14(13(12)18)19-15(20)9-5-3-4-6-10(9)16(19)21/h3-8H,2H2,1H3
InChIKeyZLIXPQPNCRIMCY-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
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-[4-ethoxy-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 168516160
2-(2,3,5,6-tetrafluorophenyl)isoindole-1,3-dione
CID 168516039
2-(2-ethoxy-4-methylphenyl)isoindole-1,3-dione
CID 58758682
2-(4-amino-2,6-difluorophenyl)isoindole-1,3-dione
CID 58758353
2-[2-(2-ethoxy-5-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 22157085
1-(2-ethoxy-6-fluorophenyl)-3-fluoropyrrolidin-2-one
CID 141328738
2-(4-ethoxy-2,3-difluorophenyl)selenophene
CID 59456301
1-ethoxy-2,4-difluoro-3-propan-2-ylbenzene
CID 58402522
2-[1-(3,4-diethoxyphenyl)-1-ethoxypropyl]isoindole-1,3-dione
CID 67579443
(4-ethoxy-2,3-difluorophenoxy)-oxoborane
CID 139945985
6-ethoxy-2,3-difluorobenzonitrile
CID 119017576
2-(2-ethoxyphenyl)-5-fluorobenzoic acid
CID 55120835

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-2,6-difluorophenyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-ethoxy-2,6-difluorophenyl)isoindole-1,3-dione (CID 168517399) is 2-(3-ethoxy-2,6-difluorophenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-ethoxy-2,6-difluorophenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-ethoxy-2,6-difluorophenyl)isoindole-1,3-dione is CCOc1ccc(F)c(N2C(=O)c3ccccc3C2=O)c1F.
What is the InChIKey of 2-(3-ethoxy-2,6-difluorophenyl)isoindole-1,3-dione?
The InChIKey is ZLIXPQPNCRIMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO3/c1-2-22-12-8-7-11(17)14(13(12)18)19-15(20)9-5-3-4-6-10(9)16(19)21/h3-8H,2H2,1H3.
What are the key properties of 2-(3-ethoxy-2,6-difluorophenyl)isoindole-1,3-dione?
2-(3-ethoxy-2,6-difluorophenyl)isoindole-1,3-dione has a molecular weight of 303.26 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-2,6-difluorophenyl)isoindole-1,3-dione is sourced from PubChem (CID 168517399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).