[1,1,1,3-tetrafluoro-2-(2-fluoroethoxy)-3-oxopropan-2-yl] hypofluorite

C5H4F6O3 — CID 20733509

IUPAC[1,1,1,3-tetrafluoro-2-(2-fluoroethoxy)-3-oxopropan-2-yl] hypofluorite
SMILESO=C(F)C(OF)(OCCF)C(F)(F)F
InChIInChI=1S/C5H4F6O3/c6-1-2-13-4(14-11,3(7)12)5(8,9)10/h1-2H2
InChIKeyTYUVEDOXCDHMJS-UHFFFAOYSA-N
MW226.07 g/mol
LogP1.63
Rot. Bonds5

About [1,1,1,3-tetrafluoro-2-(2-fluoroethoxy)-3-oxopropan-2-yl] hypofluorite

[1,1,1,3-tetrafluoro-2-(2-fluoroethoxy)-3-oxopropan-2-yl] hypofluorite (PubChem CID 20733509) has the molecular formula C5H4F6O3 and a molecular weight of 226.07 g/mol. Its IUPAC name is [1,1,1,3-tetrafluoro-2-(2-fluoroethoxy)-3-oxopropan-2-yl] hypofluorite.

Molecular Properties

Compound Name[1,1,1,3-tetrafluoro-2-(2-fluoroethoxy)-3-oxopropan-2-yl] hypofluorite
PubChem CID20733509
Molecular FormulaC5H4F6O3
Molecular Weight226.07 g/mol
Exact Mass226.01
IUPAC Name[1,1,1,3-tetrafluoro-2-(2-fluoroethoxy)-3-oxopropan-2-yl] hypofluorite
SMILESO=C(F)C(OF)(OCCF)C(F)(F)F
InChIInChI=1S/C5H4F6O3/c6-1-2-13-4(14-11,3(7)12)5(8,9)10/h1-2H2
InChIKeyTYUVEDOXCDHMJS-UHFFFAOYSA-N
XLogP1.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1,1,1,3-tetrafluoro-2-(2-fluoroethoxy)-3-oxopropan-2-yl] hypofluorite?
The IUPAC name of [1,1,1,3-tetrafluoro-2-(2-fluoroethoxy)-3-oxopropan-2-yl] hypofluorite (CID 20733509) is [1,1,1,3-tetrafluoro-2-(2-fluoroethoxy)-3-oxopropan-2-yl] hypofluorite.
What is the SMILES notation for [1,1,1,3-tetrafluoro-2-(2-fluoroethoxy)-3-oxopropan-2-yl] hypofluorite?
The canonical SMILES for [1,1,1,3-tetrafluoro-2-(2-fluoroethoxy)-3-oxopropan-2-yl] hypofluorite is O=C(F)C(OF)(OCCF)C(F)(F)F.
What is the InChIKey of [1,1,1,3-tetrafluoro-2-(2-fluoroethoxy)-3-oxopropan-2-yl] hypofluorite?
The InChIKey is TYUVEDOXCDHMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O3/c6-1-2-13-4(14-11,3(7)12)5(8,9)10/h1-2H2.
What are the key properties of [1,1,1,3-tetrafluoro-2-(2-fluoroethoxy)-3-oxopropan-2-yl] hypofluorite?
[1,1,1,3-tetrafluoro-2-(2-fluoroethoxy)-3-oxopropan-2-yl] hypofluorite has a molecular weight of 226.07 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1,3-tetrafluoro-2-(2-fluoroethoxy)-3-oxopropan-2-yl] hypofluorite is sourced from PubChem (CID 20733509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).