5,5,6,6,7,7-hexafluoro-2,3-dihydrocyclopenta[b][1,4]dioxine

C7H4F6O2 — CID 146613895

IUPAC5,5,6,6,7,7-hexafluoro-2,3-dihydrocyclopenta[b][1,4]dioxine
SMILESFC1(F)C2=C(OCCO2)C(F)(F)C1(F)F
InChIInChI=1S/C7H4F6O2/c8-5(9)3-4(15-2-1-14-3)6(10,11)7(5,12)13/h1-2H2
InChIKeyOBTKTZQIDGJECL-UHFFFAOYSA-N
MW234.09 g/mol
LogP2.16
Rot. Bonds

About 5,5,6,6,7,7-hexafluoro-2,3-dihydrocyclopenta[b][1,4]dioxine

5,5,6,6,7,7-hexafluoro-2,3-dihydrocyclopenta[b][1,4]dioxine (PubChem CID 146613895) has the molecular formula C7H4F6O2 and a molecular weight of 234.09 g/mol. Its IUPAC name is 5,5,6,6,7,7-hexafluoro-2,3-dihydrocyclopenta[b][1,4]dioxine.

Molecular Properties

Compound Name5,5,6,6,7,7-hexafluoro-2,3-dihydrocyclopenta[b][1,4]dioxine
PubChem CID146613895
Molecular FormulaC7H4F6O2
Molecular Weight234.09 g/mol
Exact Mass234.01
IUPAC Name5,5,6,6,7,7-hexafluoro-2,3-dihydrocyclopenta[b][1,4]dioxine
SMILESFC1(F)C2=C(OCCO2)C(F)(F)C1(F)F
InChIInChI=1S/C7H4F6O2/c8-5(9)3-4(15-2-1-14-3)6(10,11)7(5,12)13/h1-2H2
InChIKeyOBTKTZQIDGJECL-UHFFFAOYSA-N
XLogP2.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 52.16
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 5,5,6,6,7,7-hexafluoro-2,3-dihydrocyclopenta[b][1,4]dioxine?
The IUPAC name of 5,5,6,6,7,7-hexafluoro-2,3-dihydrocyclopenta[b][1,4]dioxine (CID 146613895) is 5,5,6,6,7,7-hexafluoro-2,3-dihydrocyclopenta[b][1,4]dioxine.
What is the SMILES notation for 5,5,6,6,7,7-hexafluoro-2,3-dihydrocyclopenta[b][1,4]dioxine?
The canonical SMILES for 5,5,6,6,7,7-hexafluoro-2,3-dihydrocyclopenta[b][1,4]dioxine is FC1(F)C2=C(OCCO2)C(F)(F)C1(F)F.
What is the InChIKey of 5,5,6,6,7,7-hexafluoro-2,3-dihydrocyclopenta[b][1,4]dioxine?
The InChIKey is OBTKTZQIDGJECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F6O2/c8-5(9)3-4(15-2-1-14-3)6(10,11)7(5,12)13/h1-2H2.
What are the key properties of 5,5,6,6,7,7-hexafluoro-2,3-dihydrocyclopenta[b][1,4]dioxine?
5,5,6,6,7,7-hexafluoro-2,3-dihydrocyclopenta[b][1,4]dioxine has a molecular weight of 234.09 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7-hexafluoro-2,3-dihydrocyclopenta[b][1,4]dioxine is sourced from PubChem (CID 146613895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).