2,2,3,3,5-pentafluoro-6-(trifluoromethyl)-1,4-dioxine

C5F8O2 — CID 86744873

IUPAC2,2,3,3,5-pentafluoro-6-(trifluoromethyl)-1,4-dioxine
SMILESFC1=C(C(F)(F)F)OC(F)(F)C(F)(F)O1
InChIInChI=1S/C5F8O2/c6-2-1(3(7,8)9)14-4(10,11)5(12,13)15-2
InChIKeyKKDCRQIAHGYQLP-UHFFFAOYSA-N
MW244.04 g/mol
LogP2.92
Rot. Bonds

About 2,2,3,3,5-pentafluoro-6-(trifluoromethyl)-1,4-dioxine

2,2,3,3,5-pentafluoro-6-(trifluoromethyl)-1,4-dioxine (PubChem CID 86744873) has the molecular formula C5F8O2 and a molecular weight of 244.04 g/mol. Its IUPAC name is 2,2,3,3,5-pentafluoro-6-(trifluoromethyl)-1,4-dioxine.

Molecular Properties

Compound Name2,2,3,3,5-pentafluoro-6-(trifluoromethyl)-1,4-dioxine
PubChem CID86744873
Molecular FormulaC5F8O2
Molecular Weight244.04 g/mol
Exact Mass243.98
IUPAC Name2,2,3,3,5-pentafluoro-6-(trifluoromethyl)-1,4-dioxine
SMILESFC1=C(C(F)(F)F)OC(F)(F)C(F)(F)O1
InChIInChI=1S/C5F8O2/c6-2-1(3(7,8)9)14-4(10,11)5(12,13)15-2
InChIKeyKKDCRQIAHGYQLP-UHFFFAOYSA-N
XLogP2.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.04
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,2,3,3,5-pentafluoro-6-(trifluoromethyl)-1,4-dioxine?
The IUPAC name of 2,2,3,3,5-pentafluoro-6-(trifluoromethyl)-1,4-dioxine (CID 86744873) is 2,2,3,3,5-pentafluoro-6-(trifluoromethyl)-1,4-dioxine.
What is the SMILES notation for 2,2,3,3,5-pentafluoro-6-(trifluoromethyl)-1,4-dioxine?
The canonical SMILES for 2,2,3,3,5-pentafluoro-6-(trifluoromethyl)-1,4-dioxine is FC1=C(C(F)(F)F)OC(F)(F)C(F)(F)O1.
What is the InChIKey of 2,2,3,3,5-pentafluoro-6-(trifluoromethyl)-1,4-dioxine?
The InChIKey is KKDCRQIAHGYQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F8O2/c6-2-1(3(7,8)9)14-4(10,11)5(12,13)15-2.
What are the key properties of 2,2,3,3,5-pentafluoro-6-(trifluoromethyl)-1,4-dioxine?
2,2,3,3,5-pentafluoro-6-(trifluoromethyl)-1,4-dioxine has a molecular weight of 244.04 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5-pentafluoro-6-(trifluoromethyl)-1,4-dioxine is sourced from PubChem (CID 86744873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).