1,4,5,5,6,6-hexafluorobicyclo[2.2.2]oct-2-ene

C8H6F6 — CID 575763

IUPAC1,4,5,5,6,6-hexafluorobicyclo[2.2.2]oct-2-ene
SMILESFC12C=CC(F)(CC1)C(F)(F)C2(F)F
InChIInChI=1S/C8H6F6/c9-5-1-2-6(10,4-3-5)8(13,14)7(5,11)12/h1-2H,3-4H2
InChIKeyYNDZDKHBGQGIQJ-UHFFFAOYSA-N
MW216.12 g/mol
LogP3.04
Rot. Bonds

About 1,4,5,5,6,6-hexafluorobicyclo[2.2.2]oct-2-ene

1,4,5,5,6,6-hexafluorobicyclo[2.2.2]oct-2-ene (PubChem CID 575763) has the molecular formula C8H6F6 and a molecular weight of 216.12 g/mol. Its IUPAC name is 1,4,5,5,6,6-hexafluorobicyclo[2.2.2]oct-2-ene.

Molecular Properties

Compound Name1,4,5,5,6,6-hexafluorobicyclo[2.2.2]oct-2-ene
PubChem CID575763
Molecular FormulaC8H6F6
Molecular Weight216.12 g/mol
Exact Mass216.04
IUPAC Name1,4,5,5,6,6-hexafluorobicyclo[2.2.2]oct-2-ene
SMILESFC12C=CC(F)(CC1)C(F)(F)C2(F)F
InChIInChI=1S/C8H6F6/c9-5-1-2-6(10,4-3-5)8(13,14)7(5,11)12/h1-2H,3-4H2
InChIKeyYNDZDKHBGQGIQJ-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,5,6,6-hexafluorobicyclo[2.2.2]oct-2-ene?
The IUPAC name of 1,4,5,5,6,6-hexafluorobicyclo[2.2.2]oct-2-ene (CID 575763) is 1,4,5,5,6,6-hexafluorobicyclo[2.2.2]oct-2-ene.
What is the SMILES notation for 1,4,5,5,6,6-hexafluorobicyclo[2.2.2]oct-2-ene?
The canonical SMILES for 1,4,5,5,6,6-hexafluorobicyclo[2.2.2]oct-2-ene is FC12C=CC(F)(CC1)C(F)(F)C2(F)F.
What is the InChIKey of 1,4,5,5,6,6-hexafluorobicyclo[2.2.2]oct-2-ene?
The InChIKey is YNDZDKHBGQGIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6/c9-5-1-2-6(10,4-3-5)8(13,14)7(5,11)12/h1-2H,3-4H2.
What are the key properties of 1,4,5,5,6,6-hexafluorobicyclo[2.2.2]oct-2-ene?
1,4,5,5,6,6-hexafluorobicyclo[2.2.2]oct-2-ene has a molecular weight of 216.12 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,5,6,6-hexafluorobicyclo[2.2.2]oct-2-ene is sourced from PubChem (CID 575763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).