2-[4-ethoxy-3-(trifluoromethyl)phenyl]isoindole-1,3-dione

C17H12F3NO3 — CID 168516160

IUPAC2-[4-ethoxy-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
SMILESCCOc1ccc(N2C(=O)c3ccccc3C2=O)cc1C(F)(F)F
InChIInChI=1S/C17H12F3NO3/c1-2-24-14-8-7-10(9-13(14)17(18,19)20)21-15(22)11-5-3-4-6-12(11)16(21)23/h3-9H,2H2,1H3
InChIKeyPIGYYDGOHPIZGO-UHFFFAOYSA-N
MW335.28 g/mol
LogP3.90
Rot. Bonds3

About 2-[4-ethoxy-3-(trifluoromethyl)phenyl]isoindole-1,3-dione

2-[4-ethoxy-3-(trifluoromethyl)phenyl]isoindole-1,3-dione (PubChem CID 168516160) has the molecular formula C17H12F3NO3 and a molecular weight of 335.28 g/mol. Its IUPAC name is 2-[4-ethoxy-3-(trifluoromethyl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-ethoxy-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
PubChem CID168516160
Molecular FormulaC17H12F3NO3
Molecular Weight335.28 g/mol
Exact Mass335.08
IUPAC Name2-[4-ethoxy-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
SMILESCCOc1ccc(N2C(=O)c3ccccc3C2=O)cc1C(F)(F)F
InChIInChI=1S/C17H12F3NO3/c1-2-24-14-8-7-10(9-13(14)17(18,19)20)21-15(22)11-5-3-4-6-12(11)16(21)23/h3-9H,2H2,1H3
InChIKeyPIGYYDGOHPIZGO-UHFFFAOYSA-N
XLogP3.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 53.90
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-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 59128028
2-[4-chloro-3-(trifluoromethyl)phenyl]-4-[2-(dimethylamino)ethoxy]-7-ethoxyisoindole-1,3-dione
CID 57406473
2-(3-ethoxy-2,6-difluorophenyl)isoindole-1,3-dione
CID 168517399
4-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 129087168
2-[4-[3,5-bis[4-(5-carboxy-1,3-dioxoisoindol-2-yl)-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 175974088
[4-(1,3-dioxoisoindol-2-yl)phenyl] 3,4,5-triethoxybenzoate
CID 19181569
2-(2-ethoxy-4-methylphenyl)isoindole-1,3-dione
CID 58758682
1-ethoxy-4-ethyl-2-(trifluoromethyl)benzene
CID 118314791
2-(3-amino-4-ethylphenyl)isoindole-1,3-dione
CID 60921292
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
2-[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]isoindole-1,3-dione
CID 168517652
3-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine
CID 174511445

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethoxy-3-(trifluoromethyl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-ethoxy-3-(trifluoromethyl)phenyl]isoindole-1,3-dione (CID 168516160) is 2-[4-ethoxy-3-(trifluoromethyl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-ethoxy-3-(trifluoromethyl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-ethoxy-3-(trifluoromethyl)phenyl]isoindole-1,3-dione is CCOc1ccc(N2C(=O)c3ccccc3C2=O)cc1C(F)(F)F.
What is the InChIKey of 2-[4-ethoxy-3-(trifluoromethyl)phenyl]isoindole-1,3-dione?
The InChIKey is PIGYYDGOHPIZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO3/c1-2-24-14-8-7-10(9-13(14)17(18,19)20)21-15(22)11-5-3-4-6-12(11)16(21)23/h3-9H,2H2,1H3.
What are the key properties of 2-[4-ethoxy-3-(trifluoromethyl)phenyl]isoindole-1,3-dione?
2-[4-ethoxy-3-(trifluoromethyl)phenyl]isoindole-1,3-dione has a molecular weight of 335.28 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethoxy-3-(trifluoromethyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168516160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).