[1,1,2,2-tetrafluoro-3-(2-oxo-1,3-dioxolan-4-yl)propyl] hypofluorite

C6H5F5O4 — CID 122599000

IUPAC[1,1,2,2-tetrafluoro-3-(2-oxo-1,3-dioxolan-4-yl)propyl] hypofluorite
SMILESO=C1OCC(CC(F)(F)C(F)(F)OF)O1
InChIInChI=1S/C6H5F5O4/c7-5(8,6(9,10)15-11)1-3-2-13-4(12)14-3/h3H,1-2H2
InChIKeyUDIVUBOIKOFMDX-UHFFFAOYSA-N
MW236.09 g/mol
LogP2.04
Rot. Bonds4

About [1,1,2,2-tetrafluoro-3-(2-oxo-1,3-dioxolan-4-yl)propyl] hypofluorite

[1,1,2,2-tetrafluoro-3-(2-oxo-1,3-dioxolan-4-yl)propyl] hypofluorite (PubChem CID 122599000) has the molecular formula C6H5F5O4 and a molecular weight of 236.09 g/mol. Its IUPAC name is [1,1,2,2-tetrafluoro-3-(2-oxo-1,3-dioxolan-4-yl)propyl] hypofluorite.

Molecular Properties

Compound Name[1,1,2,2-tetrafluoro-3-(2-oxo-1,3-dioxolan-4-yl)propyl] hypofluorite
PubChem CID122599000
Molecular FormulaC6H5F5O4
Molecular Weight236.09 g/mol
Exact Mass236.01
IUPAC Name[1,1,2,2-tetrafluoro-3-(2-oxo-1,3-dioxolan-4-yl)propyl] hypofluorite
SMILESO=C1OCC(CC(F)(F)C(F)(F)OF)O1
InChIInChI=1S/C6H5F5O4/c7-5(8,6(9,10)15-11)1-3-2-13-4(12)14-3/h3H,1-2H2
InChIKeyUDIVUBOIKOFMDX-UHFFFAOYSA-N
XLogP2.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.09
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,1,2,2-tetrafluoro-3-(2-oxo-1,3-dioxolan-4-yl)propyl] hypofluorite?
The IUPAC name of [1,1,2,2-tetrafluoro-3-(2-oxo-1,3-dioxolan-4-yl)propyl] hypofluorite (CID 122599000) is [1,1,2,2-tetrafluoro-3-(2-oxo-1,3-dioxolan-4-yl)propyl] hypofluorite.
What is the SMILES notation for [1,1,2,2-tetrafluoro-3-(2-oxo-1,3-dioxolan-4-yl)propyl] hypofluorite?
The canonical SMILES for [1,1,2,2-tetrafluoro-3-(2-oxo-1,3-dioxolan-4-yl)propyl] hypofluorite is O=C1OCC(CC(F)(F)C(F)(F)OF)O1.
What is the InChIKey of [1,1,2,2-tetrafluoro-3-(2-oxo-1,3-dioxolan-4-yl)propyl] hypofluorite?
The InChIKey is UDIVUBOIKOFMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5O4/c7-5(8,6(9,10)15-11)1-3-2-13-4(12)14-3/h3H,1-2H2.
What are the key properties of [1,1,2,2-tetrafluoro-3-(2-oxo-1,3-dioxolan-4-yl)propyl] hypofluorite?
[1,1,2,2-tetrafluoro-3-(2-oxo-1,3-dioxolan-4-yl)propyl] hypofluorite has a molecular weight of 236.09 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,2,2-tetrafluoro-3-(2-oxo-1,3-dioxolan-4-yl)propyl] hypofluorite is sourced from PubChem (CID 122599000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).