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

C8H13FN2O3 — CID 59356241

IUPAC1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione
SMILESCCOCCN1C(=O)CC(NF)C1=O
InChIInChI=1S/C8H13FN2O3/c1-2-14-4-3-11-7(12)5-6(10-9)8(11)13/h6,10H,2-5H2,1H3
InChIKeyAWCPIBXTMAWBPK-UHFFFAOYSA-N
MW204.20 g/mol
LogP-0.38
Rot. Bonds5

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

1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione (PubChem CID 59356241) has the molecular formula C8H13FN2O3 and a molecular weight of 204.20 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione
PubChem CID59356241
Molecular FormulaC8H13FN2O3
Molecular Weight204.20 g/mol
Exact Mass204.09
IUPAC Name1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione
SMILESCCOCCN1C(=O)CC(NF)C1=O
InChIInChI=1S/C8H13FN2O3/c1-2-14-4-3-11-7(12)5-6(10-9)8(11)13/h6,10H,2-5H2,1H3
InChIKeyAWCPIBXTMAWBPK-UHFFFAOYSA-N
XLogP-0.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 5-0.38
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione (CID 59356241) is 1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione is CCOCCN1C(=O)CC(NF)C1=O.
What is the InChIKey of 1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione?
The InChIKey is AWCPIBXTMAWBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O3/c1-2-14-4-3-11-7(12)5-6(10-9)8(11)13/h6,10H,2-5H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione?
1-(2-ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione has a molecular weight of 204.20 g/mol, XLogP of -0.38, 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 is sourced from PubChem (CID 59356241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).