4-ethenylperoxy-3-fluorobut-1-ene

C6H9FO2 — CID 87098157

IUPAC4-ethenylperoxy-3-fluorobut-1-ene
SMILESC=COOCC(F)C=C
InChIInChI=1S/C6H9FO2/c1-3-6(7)5-9-8-4-2/h3-4,6H,1-2,5H2
InChIKeyGBEQVSXPJSLKDG-UHFFFAOYSA-N
MW132.13 g/mol
LogP1.60
Rot. Bonds5

About 4-ethenylperoxy-3-fluorobut-1-ene

4-ethenylperoxy-3-fluorobut-1-ene (PubChem CID 87098157) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is 4-ethenylperoxy-3-fluorobut-1-ene.

Molecular Properties

Compound Name4-ethenylperoxy-3-fluorobut-1-ene
PubChem CID87098157
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Name4-ethenylperoxy-3-fluorobut-1-ene
SMILESC=COOCC(F)C=C
InChIInChI=1S/C6H9FO2/c1-3-6(7)5-9-8-4-2/h3-4,6H,1-2,5H2
InChIKeyGBEQVSXPJSLKDG-UHFFFAOYSA-N
XLogP1.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylperoxy-3-fluorobut-1-ene?
The IUPAC name of 4-ethenylperoxy-3-fluorobut-1-ene (CID 87098157) is 4-ethenylperoxy-3-fluorobut-1-ene.
What is the SMILES notation for 4-ethenylperoxy-3-fluorobut-1-ene?
The canonical SMILES for 4-ethenylperoxy-3-fluorobut-1-ene is C=COOCC(F)C=C.
What is the InChIKey of 4-ethenylperoxy-3-fluorobut-1-ene?
The InChIKey is GBEQVSXPJSLKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2/c1-3-6(7)5-9-8-4-2/h3-4,6H,1-2,5H2.
What are the key properties of 4-ethenylperoxy-3-fluorobut-1-ene?
4-ethenylperoxy-3-fluorobut-1-ene has a molecular weight of 132.13 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylperoxy-3-fluorobut-1-ene is sourced from PubChem (CID 87098157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).