3,3,4,4,5,5,6,6-octafluorocyclohexene

C6H2F8 — CID 13054

IUPAC3,3,4,4,5,5,6,6-octafluorocyclohexene
SMILESFC1(F)C=CC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H2F8/c7-3(8)1-2-4(9,10)6(13,14)5(3,11)12/h1-2H
InChIKeyJSIJIGNXOVSJFX-UHFFFAOYSA-N
MW226.07 g/mol
LogP3.10
Rot. Bonds

About 3,3,4,4,5,5,6,6-octafluorocyclohexene

3,3,4,4,5,5,6,6-octafluorocyclohexene (PubChem CID 13054) has the molecular formula C6H2F8 and a molecular weight of 226.07 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6-octafluorocyclohexene.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6-octafluorocyclohexene
PubChem CID13054
Molecular FormulaC6H2F8
Molecular Weight226.07 g/mol
Exact Mass226.00
IUPAC Name3,3,4,4,5,5,6,6-octafluorocyclohexene
SMILESFC1(F)C=CC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H2F8/c7-3(8)1-2-4(9,10)6(13,14)5(3,11)12/h1-2H
InChIKeyJSIJIGNXOVSJFX-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 53.10
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 3,3,4,4,5,5,6,6-octafluorocyclohexene?
The IUPAC name of 3,3,4,4,5,5,6,6-octafluorocyclohexene (CID 13054) is 3,3,4,4,5,5,6,6-octafluorocyclohexene.
What is the SMILES notation for 3,3,4,4,5,5,6,6-octafluorocyclohexene?
The canonical SMILES for 3,3,4,4,5,5,6,6-octafluorocyclohexene is FC1(F)C=CC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6-octafluorocyclohexene?
The InChIKey is JSIJIGNXOVSJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F8/c7-3(8)1-2-4(9,10)6(13,14)5(3,11)12/h1-2H.
What are the key properties of 3,3,4,4,5,5,6,6-octafluorocyclohexene?
3,3,4,4,5,5,6,6-octafluorocyclohexene has a molecular weight of 226.07 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6-octafluorocyclohexene is sourced from PubChem (CID 13054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).