1,2,3,4,5,5,6,6-octafluorobicyclo[2.2.2]oct-2-ene

C8H4F8 — CID 592488

IUPAC1,2,3,4,5,5,6,6-octafluorobicyclo[2.2.2]oct-2-ene
SMILESFC1=C(F)C2(F)CCC1(F)C(F)(F)C2(F)F
InChIInChI=1S/C8H4F8/c9-3-4(10)6(12)2-1-5(3,11)7(13,14)8(6,15)16/h1-2H2
InChIKeyMILCJPLPEMJWKH-UHFFFAOYSA-N
MW252.10 g/mol
LogP3.63
Rot. Bonds

About 1,2,3,4,5,5,6,6-octafluorobicyclo[2.2.2]oct-2-ene

1,2,3,4,5,5,6,6-octafluorobicyclo[2.2.2]oct-2-ene (PubChem CID 592488) has the molecular formula C8H4F8 and a molecular weight of 252.10 g/mol. Its IUPAC name is 1,2,3,4,5,5,6,6-octafluorobicyclo[2.2.2]oct-2-ene.

Molecular Properties

Compound Name1,2,3,4,5,5,6,6-octafluorobicyclo[2.2.2]oct-2-ene
PubChem CID592488
Molecular FormulaC8H4F8
Molecular Weight252.10 g/mol
Exact Mass252.02
IUPAC Name1,2,3,4,5,5,6,6-octafluorobicyclo[2.2.2]oct-2-ene
SMILESFC1=C(F)C2(F)CCC1(F)C(F)(F)C2(F)F
InChIInChI=1S/C8H4F8/c9-3-4(10)6(12)2-1-5(3,11)7(13,14)8(6,15)16/h1-2H2
InChIKeyMILCJPLPEMJWKH-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 53.63
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-octafluorobicyclo[2.2.2]oct-2-ene?
The IUPAC name of 1,2,3,4,5,5,6,6-octafluorobicyclo[2.2.2]oct-2-ene (CID 592488) is 1,2,3,4,5,5,6,6-octafluorobicyclo[2.2.2]oct-2-ene.
What is the SMILES notation for 1,2,3,4,5,5,6,6-octafluorobicyclo[2.2.2]oct-2-ene?
The canonical SMILES for 1,2,3,4,5,5,6,6-octafluorobicyclo[2.2.2]oct-2-ene is FC1=C(F)C2(F)CCC1(F)C(F)(F)C2(F)F.
What is the InChIKey of 1,2,3,4,5,5,6,6-octafluorobicyclo[2.2.2]oct-2-ene?
The InChIKey is MILCJPLPEMJWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F8/c9-3-4(10)6(12)2-1-5(3,11)7(13,14)8(6,15)16/h1-2H2.
What are the key properties of 1,2,3,4,5,5,6,6-octafluorobicyclo[2.2.2]oct-2-ene?
1,2,3,4,5,5,6,6-octafluorobicyclo[2.2.2]oct-2-ene has a molecular weight of 252.10 g/mol, XLogP of 3.63, 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-octafluorobicyclo[2.2.2]oct-2-ene is sourced from PubChem (CID 592488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).