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

C16H12FNO3 — CID 934440

IUPAC2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOc1ccccc1F
InChIInChI=1S/C16H12FNO3/c17-13-7-3-4-8-14(13)21-10-9-18-15(19)11-5-1-2-6-12(11)16(18)20/h1-8H,9-10H2
InChIKeyLTTSJTCXKJLQSU-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.50
Rot. Bonds4

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

2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione (PubChem CID 934440) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione
PubChem CID934440
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOc1ccccc1F
InChIInChI=1S/C16H12FNO3/c17-13-7-3-4-8-14(13)21-10-9-18-15(19)11-5-1-2-6-12(11)16(18)20/h1-8H,9-10H2
InChIKeyLTTSJTCXKJLQSU-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-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 2230352
2-[2-(2-ethoxy-5-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 22157085
2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]benzonitrile
CID 934406
2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 12692562
3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 3584642
2-(2-fluorophenoxy)ethyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate
CID 3937660
(2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 8764408
2-[4-(2-chloro-4-fluorophenoxy)butyl]isoindole-1,3-dione
CID 112787288
2-[4-(2-bromo-4-fluorophenoxy)butyl]isoindole-1,3-dione
CID 112788012
2-(2-hydroperoxyethyl)isoindole-1,3-dione
CID 144780934
5,5-dibenzyl-3-[2-(2-fluorophenoxy)ethyl]imidazolidine-2,4-dione
CID 17394454
2-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]isoindole-1,3-dione
CID 156773068

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione (CID 934440) is 2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCOc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione?
The InChIKey is LTTSJTCXKJLQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c17-13-7-3-4-8-14(13)21-10-9-18-15(19)11-5-1-2-6-12(11)16(18)20/h1-8H,9-10H2.
What are the key properties of 2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione?
2-[2-(2-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-(2-fluorophenoxy)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 934440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).