1,2,3,4,5,5,6,6,7,7,8,8-dodecafluorobicyclo[2.2.2]oct-2-ene

C8F12 — CID 12593516

IUPAC1,2,3,4,5,5,6,6,7,7,8,8-dodecafluorobicyclo[2.2.2]oct-2-ene
SMILESFC1=C(F)C2(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C2(F)F
InChIInChI=1S/C8F12/c9-1-2(10)4(12)7(17,18)5(13,14)3(1,11)6(15,16)8(4,19)20
InChIKeySTYNFPYWGYVQGF-UHFFFAOYSA-N
MW324.06 g/mol
LogP4.12
Rot. Bonds

About 1,2,3,4,5,5,6,6,7,7,8,8-dodecafluorobicyclo[2.2.2]oct-2-ene

1,2,3,4,5,5,6,6,7,7,8,8-dodecafluorobicyclo[2.2.2]oct-2-ene (PubChem CID 12593516) has the molecular formula C8F12 and a molecular weight of 324.06 g/mol. Its IUPAC name is 1,2,3,4,5,5,6,6,7,7,8,8-dodecafluorobicyclo[2.2.2]oct-2-ene.

Molecular Properties

Compound Name1,2,3,4,5,5,6,6,7,7,8,8-dodecafluorobicyclo[2.2.2]oct-2-ene
PubChem CID12593516
Molecular FormulaC8F12
Molecular Weight324.06 g/mol
Exact Mass323.98
IUPAC Name1,2,3,4,5,5,6,6,7,7,8,8-dodecafluorobicyclo[2.2.2]oct-2-ene
SMILESFC1=C(F)C2(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C2(F)F
InChIInChI=1S/C8F12/c9-1-2(10)4(12)7(17,18)5(13,14)3(1,11)6(15,16)8(4,19)20
InChIKeySTYNFPYWGYVQGF-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.06
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,2,3,4,5,5,6,6,7,7,8,8-dodecafluorobicyclo[2.2.2]oct-2-ene?
The IUPAC name of 1,2,3,4,5,5,6,6,7,7,8,8-dodecafluorobicyclo[2.2.2]oct-2-ene (CID 12593516) is 1,2,3,4,5,5,6,6,7,7,8,8-dodecafluorobicyclo[2.2.2]oct-2-ene.
What is the SMILES notation for 1,2,3,4,5,5,6,6,7,7,8,8-dodecafluorobicyclo[2.2.2]oct-2-ene?
The canonical SMILES for 1,2,3,4,5,5,6,6,7,7,8,8-dodecafluorobicyclo[2.2.2]oct-2-ene is FC1=C(F)C2(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C2(F)F.
What is the InChIKey of 1,2,3,4,5,5,6,6,7,7,8,8-dodecafluorobicyclo[2.2.2]oct-2-ene?
The InChIKey is STYNFPYWGYVQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F12/c9-1-2(10)4(12)7(17,18)5(13,14)3(1,11)6(15,16)8(4,19)20.
What are the key properties of 1,2,3,4,5,5,6,6,7,7,8,8-dodecafluorobicyclo[2.2.2]oct-2-ene?
1,2,3,4,5,5,6,6,7,7,8,8-dodecafluorobicyclo[2.2.2]oct-2-ene has a molecular weight of 324.06 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,5,6,6,7,7,8,8-dodecafluorobicyclo[2.2.2]oct-2-ene is sourced from PubChem (CID 12593516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).