1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione;molecular fluorine

C8H13F9N2O3 — CID 90684882

IUPAC1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione;molecular fluorine
SMILESCCOCCN1C(=O)CC(NF)C1=O.FF.FF.FF.FF
InChIInChI=1S/C8H13FN2O3.4F2/c1-2-14-4-3-11-7(12)5-6(10-9)8(11)13;4*1-2/h6,10H,2-5H2,1H3;;;;
InChIKeyCECHRIMOFFMWIZ-UHFFFAOYSA-N
MW356.19 g/mol
LogP2.99
Rot. Bonds5

About 1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione;molecular fluorine

1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione;molecular fluorine (PubChem CID 90684882) has the molecular formula C8H13F9N2O3 and a molecular weight of 356.19 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione;molecular fluorine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione;molecular fluorine
PubChem CID90684882
Molecular FormulaC8H13F9N2O3
Molecular Weight356.19 g/mol
Exact Mass356.08
IUPAC Name1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione;molecular fluorine
SMILESCCOCCN1C(=O)CC(NF)C1=O.FF.FF.FF.FF
InChIInChI=1S/C8H13FN2O3.4F2/c1-2-14-4-3-11-7(12)5-6(10-9)8(11)13;4*1-2/h6,10H,2-5H2,1H3;;;;
InChIKeyCECHRIMOFFMWIZ-UHFFFAOYSA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.19
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethyl)-3-(methylamino)pyrrolidine-2,5-dione
CID 58841268
1-(2-ethoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 58841262
1-[2-(2-ethoxyethoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 170045082
3-tert-butyl-1-(2-ethoxyethyl)pyrrolidine-2,5-dione
CID 177273757
3-[(3-ethoxycyclobutyl)amino]-1-propylpyrrolidine-2,5-dione
CID 114118968
[1-[3-[2-[[3-(3-ethoxypropanoylamino)-5-[2-[3-(3-fluorosulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]-5-oxopentanoyl]amino]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine
CID 90840086
1-[2-(3-methylbutoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 118459071
3-(dicyclopropylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 54959119
3-(4-methylpentan-2-ylamino)-1-propylpyrrolidine-2,5-dione
CID 43636728
3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 43636704
1-ethyl-3-(methylamino)pyrrolidine-2,5-dione
CID 43636114
3-[(2-methylcyclopropyl)amino]-1-propylpyrrolidine-2,5-dione
CID 62397716

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione;molecular fluorine?
The IUPAC name of 1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione;molecular fluorine (CID 90684882) is 1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione;molecular fluorine.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione;molecular fluorine?
The canonical SMILES for 1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione;molecular fluorine is CCOCCN1C(=O)CC(NF)C1=O.FF.FF.FF.FF.
What is the InChIKey of 1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione;molecular fluorine?
The InChIKey is CECHRIMOFFMWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O3.4F2/c1-2-14-4-3-11-7(12)5-6(10-9)8(11)13;4*1-2/h6,10H,2-5H2,1H3;;;;.
What are the key properties of 1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione;molecular fluorine?
1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione;molecular fluorine has a molecular weight of 356.19 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione;molecular fluorine is sourced from PubChem (CID 90684882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).