2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione

C16H12FNO3 — CID 2230352

IUPAC2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOc1ccc(F)cc1
InChIInChI=1S/C16H12FNO3/c17-11-5-7-12(8-6-11)21-10-9-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-8H,9-10H2
InChIKeyVVNAGOXDBCDUPI-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.50
Rot. Bonds4

About 2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione

2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione (PubChem CID 2230352) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione
PubChem CID2230352
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOc1ccc(F)cc1
InChIInChI=1S/C16H12FNO3/c17-11-5-7-12(8-6-11)21-10-9-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-8H,9-10H2
InChIKeyVVNAGOXDBCDUPI-UHFFFAOYSA-N
XLogP2.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.50
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-fluorophenoxy)ethyl 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9362967
2-[2-(4-ethylphenoxy)ethyl]isoindole-1,3-dione
CID 17368121
2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 934440
2-[2-(4-hexoxyphenoxy)ethyl]isoindole-1,3-dione
CID 90319157
2-[2-(4-fluorophenoxy)ethyl]-4-nitroisoindole-1,3-dione
CID 7233405
4-[4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]benzonitrile
CID 7670851
1-[2-(4-fluorophenoxy)ethyl]pyrrole-2,5-dione
CID 82116529
2-[4-(4-chlorophenoxy)butyl]isoindole-1,3-dione
CID 2296874
2-[2-(2-ethoxy-5-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 22157085
4-[3-(1,3-dioxoisoindol-2-yl)propoxy]benzonitrile
CID 18960990
2-[3-(4-ethynylphenoxy)propyl]isoindole-1,3-dione
CID 155919875
2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione
CID 69097570

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione (CID 2230352) is 2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCOc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione?
The InChIKey is VVNAGOXDBCDUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c17-11-5-7-12(8-6-11)21-10-9-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-8H,9-10H2.
What are the key properties of 2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione?
2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione has a molecular weight of 285.27 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 2230352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).