2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethyl hypofluorite

C12H17FN2O4 — CID 129103028

IUPAC2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethyl hypofluorite
SMILESO=C(CCCCCN1C(=O)C=CC1=O)NCCOF
InChIInChI=1S/C12H17FN2O4/c13-19-9-7-14-10(16)4-2-1-3-8-15-11(17)5-6-12(15)18/h5-6H,1-4,7-9H2,(H,14,16)
InChIKeyLPVDYRMSBMSYFQ-UHFFFAOYSA-N
MW272.28 g/mol
LogP0.49
Rot. Bonds9

About 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethyl hypofluorite

2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethyl hypofluorite (PubChem CID 129103028) has the molecular formula C12H17FN2O4 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethyl hypofluorite.

Molecular Properties

Compound Name2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethyl hypofluorite
PubChem CID129103028
Molecular FormulaC12H17FN2O4
Molecular Weight272.28 g/mol
Exact Mass272.12
IUPAC Name2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethyl hypofluorite
SMILESO=C(CCCCCN1C(=O)C=CC1=O)NCCOF
InChIInChI=1S/C12H17FN2O4/c13-19-9-7-14-10(16)4-2-1-3-8-15-11(17)5-6-12(15)18/h5-6H,1-4,7-9H2,(H,14,16)
InChIKeyLPVDYRMSBMSYFQ-UHFFFAOYSA-N
XLogP0.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 50.49
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-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethyl hypofluorite?
The IUPAC name of 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethyl hypofluorite (CID 129103028) is 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethyl hypofluorite.
What is the SMILES notation for 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethyl hypofluorite?
The canonical SMILES for 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethyl hypofluorite is O=C(CCCCCN1C(=O)C=CC1=O)NCCOF.
What is the InChIKey of 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethyl hypofluorite?
The InChIKey is LPVDYRMSBMSYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4/c13-19-9-7-14-10(16)4-2-1-3-8-15-11(17)5-6-12(15)18/h5-6H,1-4,7-9H2,(H,14,16).
What are the key properties of 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethyl hypofluorite?
2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethyl hypofluorite has a molecular weight of 272.28 g/mol, XLogP of 0.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethyl hypofluorite is sourced from PubChem (CID 129103028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).