3-ethenylperoxy-1-fluoroprop-1-ene

C5H7FO2 — CID 174965755

IUPAC3-ethenylperoxy-1-fluoroprop-1-ene
SMILESC=COOCC=CF
InChIInChI=1S/C5H7FO2/c1-2-7-8-5-3-4-6/h2-4H,1,5H2
InChIKeyUPTBLCYRUKELHK-UHFFFAOYSA-N
MW118.11 g/mol
LogP1.56
Rot. Bonds4

About 3-ethenylperoxy-1-fluoroprop-1-ene

3-ethenylperoxy-1-fluoroprop-1-ene (PubChem CID 174965755) has the molecular formula C5H7FO2 and a molecular weight of 118.11 g/mol. Its IUPAC name is 3-ethenylperoxy-1-fluoroprop-1-ene.

Molecular Properties

Compound Name3-ethenylperoxy-1-fluoroprop-1-ene
PubChem CID174965755
Molecular FormulaC5H7FO2
Molecular Weight118.11 g/mol
Exact Mass118.04
IUPAC Name3-ethenylperoxy-1-fluoroprop-1-ene
SMILESC=COOCC=CF
InChIInChI=1S/C5H7FO2/c1-2-7-8-5-3-4-6/h2-4H,1,5H2
InChIKeyUPTBLCYRUKELHK-UHFFFAOYSA-N
XLogP1.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 51.56
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': '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 3-ethenylperoxy-1-fluoroprop-1-ene?
The IUPAC name of 3-ethenylperoxy-1-fluoroprop-1-ene (CID 174965755) is 3-ethenylperoxy-1-fluoroprop-1-ene.
What is the SMILES notation for 3-ethenylperoxy-1-fluoroprop-1-ene?
The canonical SMILES for 3-ethenylperoxy-1-fluoroprop-1-ene is C=COOCC=CF.
What is the InChIKey of 3-ethenylperoxy-1-fluoroprop-1-ene?
The InChIKey is UPTBLCYRUKELHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO2/c1-2-7-8-5-3-4-6/h2-4H,1,5H2.
What are the key properties of 3-ethenylperoxy-1-fluoroprop-1-ene?
3-ethenylperoxy-1-fluoroprop-1-ene has a molecular weight of 118.11 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylperoxy-1-fluoroprop-1-ene is sourced from PubChem (CID 174965755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).