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

C14H16FNO4 — CID 156773068

IUPAC2-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOCCOCCF
InChIInChI=1S/C14H16FNO4/c15-5-7-19-9-10-20-8-6-16-13(17)11-3-1-2-4-12(11)14(16)18/h1-4H,5-10H2
InChIKeyFFJGQUBQXQWHIU-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.29
Rot. Bonds8

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

2-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]isoindole-1,3-dione (PubChem CID 156773068) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]isoindole-1,3-dione
PubChem CID156773068
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name2-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOCCOCCF
InChIInChI=1S/C14H16FNO4/c15-5-7-19-9-10-20-8-6-16-13(17)11-3-1-2-4-12(11)14(16)18/h1-4H,5-10H2
InChIKeyFFJGQUBQXQWHIU-UHFFFAOYSA-N
XLogP1.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 12692562
2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione
CID 13028612
2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl hypoiodite
CID 143275850
2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 155179726
2-[2-(2-phenylmethoxyethoxy)ethyl]isoindole-1,3-dione
CID 51354396
3-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]propanoic acid
CID 14462388
2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethyl acetate
CID 16720658
2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl-(2-hydroxyethyl)-dimethylazanium
CID 118588562
2-(2-hydroperoxyethyl)isoindole-1,3-dione
CID 144780934
tert-butyl 3-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]propanoate
CID 134839808
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-methoxyethoxy)ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 158403736

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]isoindole-1,3-dione (CID 156773068) is 2-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCOCCOCCF.
What is the InChIKey of 2-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]isoindole-1,3-dione?
The InChIKey is FFJGQUBQXQWHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c15-5-7-19-9-10-20-8-6-16-13(17)11-3-1-2-4-12(11)14(16)18/h1-4H,5-10H2.
What are the key properties of 2-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]isoindole-1,3-dione?
2-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]isoindole-1,3-dione has a molecular weight of 281.28 g/mol, XLogP of 1.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 156773068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).