5,6-bis(ethenyl)-1,2,2,3,3,4,7,7-octafluorobicyclo[2.2.1]heptane

C11H8F8 — CID 87104269

IUPAC5,6-bis(ethenyl)-1,2,2,3,3,4,7,7-octafluorobicyclo[2.2.1]heptane
SMILESC=CC1C(C=C)C2(F)C(F)(F)C(F)(F)C1(F)C2(F)F
InChIInChI=1S/C11H8F8/c1-3-5-6(4-2)8(13)9(14,15)7(5,12)10(16,17)11(8,18)19/h3-6H,1-2H2
InChIKeySLAYFLGVZCMEDM-UHFFFAOYSA-N
MW292.17 g/mol
LogP3.94
Rot. Bonds2

About 5,6-bis(ethenyl)-1,2,2,3,3,4,7,7-octafluorobicyclo[2.2.1]heptane

5,6-bis(ethenyl)-1,2,2,3,3,4,7,7-octafluorobicyclo[2.2.1]heptane (PubChem CID 87104269) has the molecular formula C11H8F8 and a molecular weight of 292.17 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-1,2,2,3,3,4,7,7-octafluorobicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5,6-bis(ethenyl)-1,2,2,3,3,4,7,7-octafluorobicyclo[2.2.1]heptane
PubChem CID87104269
Molecular FormulaC11H8F8
Molecular Weight292.17 g/mol
Exact Mass292.05
IUPAC Name5,6-bis(ethenyl)-1,2,2,3,3,4,7,7-octafluorobicyclo[2.2.1]heptane
SMILESC=CC1C(C=C)C2(F)C(F)(F)C(F)(F)C1(F)C2(F)F
InChIInChI=1S/C11H8F8/c1-3-5-6(4-2)8(13)9(14,15)7(5,12)10(16,17)11(8,18)19/h3-6H,1-2H2
InChIKeySLAYFLGVZCMEDM-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 53.94
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 5,6-bis(ethenyl)-1,2,2,3,3,4,7,7-octafluorobicyclo[2.2.1]heptane?
The IUPAC name of 5,6-bis(ethenyl)-1,2,2,3,3,4,7,7-octafluorobicyclo[2.2.1]heptane (CID 87104269) is 5,6-bis(ethenyl)-1,2,2,3,3,4,7,7-octafluorobicyclo[2.2.1]heptane.
What is the SMILES notation for 5,6-bis(ethenyl)-1,2,2,3,3,4,7,7-octafluorobicyclo[2.2.1]heptane?
The canonical SMILES for 5,6-bis(ethenyl)-1,2,2,3,3,4,7,7-octafluorobicyclo[2.2.1]heptane is C=CC1C(C=C)C2(F)C(F)(F)C(F)(F)C1(F)C2(F)F.
What is the InChIKey of 5,6-bis(ethenyl)-1,2,2,3,3,4,7,7-octafluorobicyclo[2.2.1]heptane?
The InChIKey is SLAYFLGVZCMEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F8/c1-3-5-6(4-2)8(13)9(14,15)7(5,12)10(16,17)11(8,18)19/h3-6H,1-2H2.
What are the key properties of 5,6-bis(ethenyl)-1,2,2,3,3,4,7,7-octafluorobicyclo[2.2.1]heptane?
5,6-bis(ethenyl)-1,2,2,3,3,4,7,7-octafluorobicyclo[2.2.1]heptane has a molecular weight of 292.17 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-1,2,2,3,3,4,7,7-octafluorobicyclo[2.2.1]heptane is sourced from PubChem (CID 87104269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).