2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]ethyl hypofluorite

C8H11FN2O3 — CID 129103025

IUPAC2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]ethyl hypofluorite
SMILESO=C1C=CC(=O)N1CCNCCOF
InChIInChI=1S/C8H11FN2O3/c9-14-6-4-10-3-5-11-7(12)1-2-8(11)13/h1-2,10H,3-6H2
InChIKeyLFRMCCCRZNTQGK-UHFFFAOYSA-N
MW202.19 g/mol
LogP-0.60
Rot. Bonds6

About 2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]ethyl hypofluorite

2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]ethyl hypofluorite (PubChem CID 129103025) has the molecular formula C8H11FN2O3 and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]ethyl hypofluorite.

Molecular Properties

Compound Name2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]ethyl hypofluorite
PubChem CID129103025
Molecular FormulaC8H11FN2O3
Molecular Weight202.19 g/mol
Exact Mass202.08
IUPAC Name2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]ethyl hypofluorite
SMILESO=C1C=CC(=O)N1CCNCCOF
InChIInChI=1S/C8H11FN2O3/c9-14-6-4-10-3-5-11-7(12)1-2-8(11)13/h1-2,10H,3-6H2
InChIKeyLFRMCCCRZNTQGK-UHFFFAOYSA-N
XLogP-0.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]ethyl hypofluorite?
The IUPAC name of 2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]ethyl hypofluorite (CID 129103025) is 2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]ethyl hypofluorite.
What is the SMILES notation for 2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]ethyl hypofluorite?
The canonical SMILES for 2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]ethyl hypofluorite is O=C1C=CC(=O)N1CCNCCOF.
What is the InChIKey of 2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]ethyl hypofluorite?
The InChIKey is LFRMCCCRZNTQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O3/c9-14-6-4-10-3-5-11-7(12)1-2-8(11)13/h1-2,10H,3-6H2.
What are the key properties of 2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]ethyl hypofluorite?
2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]ethyl hypofluorite has a molecular weight of 202.19 g/mol, XLogP of -0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]ethyl hypofluorite is sourced from PubChem (CID 129103025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).