2-(1,1-difluoroethyl)-2,3,5,5,6,6-hexafluoro-3-(fluoromethyl)-1,4-dioxane

C7H5F9O2 — CID 58545276

IUPAC2-(1,1-difluoroethyl)-2,3,5,5,6,6-hexafluoro-3-(fluoromethyl)-1,4-dioxane
SMILESCC(F)(F)C1(F)OC(F)(F)C(F)(F)OC1(F)CF
InChIInChI=1S/C7H5F9O2/c1-3(9,10)5(12)4(11,2-8)17-6(13,14)7(15,16)18-5/h2H2,1H3
InChIKeyQUZZHXSSHHZNBL-UHFFFAOYSA-N
MW292.10 g/mol
LogP3.18
Rot. Bonds2

About 2-(1,1-difluoroethyl)-2,3,5,5,6,6-hexafluoro-3-(fluoromethyl)-1,4-dioxane

2-(1,1-difluoroethyl)-2,3,5,5,6,6-hexafluoro-3-(fluoromethyl)-1,4-dioxane (PubChem CID 58545276) has the molecular formula C7H5F9O2 and a molecular weight of 292.10 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-2,3,5,5,6,6-hexafluoro-3-(fluoromethyl)-1,4-dioxane.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-2,3,5,5,6,6-hexafluoro-3-(fluoromethyl)-1,4-dioxane
PubChem CID58545276
Molecular FormulaC7H5F9O2
Molecular Weight292.10 g/mol
Exact Mass292.01
IUPAC Name2-(1,1-difluoroethyl)-2,3,5,5,6,6-hexafluoro-3-(fluoromethyl)-1,4-dioxane
SMILESCC(F)(F)C1(F)OC(F)(F)C(F)(F)OC1(F)CF
InChIInChI=1S/C7H5F9O2/c1-3(9,10)5(12)4(11,2-8)17-6(13,14)7(15,16)18-5/h2H2,1H3
InChIKeyQUZZHXSSHHZNBL-UHFFFAOYSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.10
LogP ≤ 53.18
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-(1,1-difluoroethyl)-2,3,5,5,6,6-hexafluoro-3-(fluoromethyl)-1,4-dioxane?
The IUPAC name of 2-(1,1-difluoroethyl)-2,3,5,5,6,6-hexafluoro-3-(fluoromethyl)-1,4-dioxane (CID 58545276) is 2-(1,1-difluoroethyl)-2,3,5,5,6,6-hexafluoro-3-(fluoromethyl)-1,4-dioxane.
What is the SMILES notation for 2-(1,1-difluoroethyl)-2,3,5,5,6,6-hexafluoro-3-(fluoromethyl)-1,4-dioxane?
The canonical SMILES for 2-(1,1-difluoroethyl)-2,3,5,5,6,6-hexafluoro-3-(fluoromethyl)-1,4-dioxane is CC(F)(F)C1(F)OC(F)(F)C(F)(F)OC1(F)CF.
What is the InChIKey of 2-(1,1-difluoroethyl)-2,3,5,5,6,6-hexafluoro-3-(fluoromethyl)-1,4-dioxane?
The InChIKey is QUZZHXSSHHZNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9O2/c1-3(9,10)5(12)4(11,2-8)17-6(13,14)7(15,16)18-5/h2H2,1H3.
What are the key properties of 2-(1,1-difluoroethyl)-2,3,5,5,6,6-hexafluoro-3-(fluoromethyl)-1,4-dioxane?
2-(1,1-difluoroethyl)-2,3,5,5,6,6-hexafluoro-3-(fluoromethyl)-1,4-dioxane has a molecular weight of 292.10 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-2,3,5,5,6,6-hexafluoro-3-(fluoromethyl)-1,4-dioxane is sourced from PubChem (CID 58545276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).