2-oxobut-3-enyl hypofluorite

C4H5FO2 — CID 162215106

IUPAC2-oxobut-3-enyl hypofluorite
SMILESC=CC(=O)COF
InChIInChI=1S/C4H5FO2/c1-2-4(6)3-7-5/h2H,1,3H2
InChIKeyFOCKFIIECUQEOA-UHFFFAOYSA-N
MW104.08 g/mol
LogP0.64
Rot. Bonds3

About 2-oxobut-3-enyl hypofluorite

2-oxobut-3-enyl hypofluorite (PubChem CID 162215106) has the molecular formula C4H5FO2 and a molecular weight of 104.08 g/mol. Its IUPAC name is 2-oxobut-3-enyl hypofluorite.

Molecular Properties

Compound Name2-oxobut-3-enyl hypofluorite
PubChem CID162215106
Molecular FormulaC4H5FO2
Molecular Weight104.08 g/mol
Exact Mass104.03
IUPAC Name2-oxobut-3-enyl hypofluorite
SMILESC=CC(=O)COF
InChIInChI=1S/C4H5FO2/c1-2-4(6)3-7-5/h2H,1,3H2
InChIKeyFOCKFIIECUQEOA-UHFFFAOYSA-N
XLogP0.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.08
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxobut-3-enyl hypofluorite?
The IUPAC name of 2-oxobut-3-enyl hypofluorite (CID 162215106) is 2-oxobut-3-enyl hypofluorite.
What is the SMILES notation for 2-oxobut-3-enyl hypofluorite?
The canonical SMILES for 2-oxobut-3-enyl hypofluorite is C=CC(=O)COF.
What is the InChIKey of 2-oxobut-3-enyl hypofluorite?
The InChIKey is FOCKFIIECUQEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO2/c1-2-4(6)3-7-5/h2H,1,3H2.
What are the key properties of 2-oxobut-3-enyl hypofluorite?
2-oxobut-3-enyl hypofluorite has a molecular weight of 104.08 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxobut-3-enyl hypofluorite is sourced from PubChem (CID 162215106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).