5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene

C9H6F6 — CID 543102

IUPAC5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene
SMILESC=CC1CC2(F)C(F)=C(F)C1(F)C2(F)F
InChIInChI=1S/C9H6F6/c1-2-4-3-7(12)5(10)6(11)8(4,13)9(7,14)15/h2,4H,1,3H2
InChIKeyJIQFYEPIIGAPMW-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.41
Rot. Bonds1

About 5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene

5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene (PubChem CID 543102) has the molecular formula C9H6F6 and a molecular weight of 228.13 g/mol. Its IUPAC name is 5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene
PubChem CID543102
Molecular FormulaC9H6F6
Molecular Weight228.13 g/mol
Exact Mass228.04
IUPAC Name5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene
SMILESC=CC1CC2(F)C(F)=C(F)C1(F)C2(F)F
InChIInChI=1S/C9H6F6/c1-2-4-3-7(12)5(10)6(11)8(4,13)9(7,14)15/h2,4H,1,3H2
InChIKeyJIQFYEPIIGAPMW-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene (CID 543102) is 5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene is C=CC1CC2(F)C(F)=C(F)C1(F)C2(F)F.
What is the InChIKey of 5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene?
The InChIKey is JIQFYEPIIGAPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6/c1-2-4-3-7(12)5(10)6(11)8(4,13)9(7,14)15/h2,4H,1,3H2.
What are the key properties of 5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene?
5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene has a molecular weight of 228.13 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 543102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).