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

C10H10F6 — CID 589036

IUPAC1,4,5,5,6,6-hexafluoro-2,3-dimethylbicyclo[2.2.2]oct-2-ene
SMILESCC1=C(C)C2(F)CCC1(F)C(F)(F)C2(F)F
InChIInChI=1S/C10H10F6/c1-5-6(2)8(12)4-3-7(5,11)9(13,14)10(8,15)16/h3-4H2,1-2H3
InChIKeyFURUEAPUALHWOC-UHFFFAOYSA-N
MW244.18 g/mol
LogP3.82
Rot. Bonds

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

1,4,5,5,6,6-hexafluoro-2,3-dimethylbicyclo[2.2.2]oct-2-ene (PubChem CID 589036) has the molecular formula C10H10F6 and a molecular weight of 244.18 g/mol. Its IUPAC name is 1,4,5,5,6,6-hexafluoro-2,3-dimethylbicyclo[2.2.2]oct-2-ene.

Molecular Properties

Compound Name1,4,5,5,6,6-hexafluoro-2,3-dimethylbicyclo[2.2.2]oct-2-ene
PubChem CID589036
Molecular FormulaC10H10F6
Molecular Weight244.18 g/mol
Exact Mass244.07
IUPAC Name1,4,5,5,6,6-hexafluoro-2,3-dimethylbicyclo[2.2.2]oct-2-ene
SMILESCC1=C(C)C2(F)CCC1(F)C(F)(F)C2(F)F
InChIInChI=1S/C10H10F6/c1-5-6(2)8(12)4-3-7(5,11)9(13,14)10(8,15)16/h3-4H2,1-2H3
InChIKeyFURUEAPUALHWOC-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 53.82
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-hexafluoro-2,3-dimethylbicyclo[2.2.2]oct-2-ene?
The IUPAC name of 1,4,5,5,6,6-hexafluoro-2,3-dimethylbicyclo[2.2.2]oct-2-ene (CID 589036) is 1,4,5,5,6,6-hexafluoro-2,3-dimethylbicyclo[2.2.2]oct-2-ene.
What is the SMILES notation for 1,4,5,5,6,6-hexafluoro-2,3-dimethylbicyclo[2.2.2]oct-2-ene?
The canonical SMILES for 1,4,5,5,6,6-hexafluoro-2,3-dimethylbicyclo[2.2.2]oct-2-ene is CC1=C(C)C2(F)CCC1(F)C(F)(F)C2(F)F.
What is the InChIKey of 1,4,5,5,6,6-hexafluoro-2,3-dimethylbicyclo[2.2.2]oct-2-ene?
The InChIKey is FURUEAPUALHWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6/c1-5-6(2)8(12)4-3-7(5,11)9(13,14)10(8,15)16/h3-4H2,1-2H3.
What are the key properties of 1,4,5,5,6,6-hexafluoro-2,3-dimethylbicyclo[2.2.2]oct-2-ene?
1,4,5,5,6,6-hexafluoro-2,3-dimethylbicyclo[2.2.2]oct-2-ene has a molecular weight of 244.18 g/mol, XLogP of 3.82, 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-hexafluoro-2,3-dimethylbicyclo[2.2.2]oct-2-ene is sourced from PubChem (CID 589036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).