1,2,3,4,5,5,6,6-octafluorocyclohexa-1,3-diene

C6F8 — CID 593242

IUPAC1,2,3,4,5,5,6,6-octafluorocyclohexa-1,3-diene
SMILESFC1=C(F)C(F)(F)C(F)(F)C(F)=C1F
InChIInChI=1S/C6F8/c7-1-2(8)4(10)6(13,14)5(11,12)3(1)9
InChIKeyNYEZNHLGLOQHEE-UHFFFAOYSA-N
MW224.05 g/mol
LogP3.57
Rot. Bonds

About 1,2,3,4,5,5,6,6-octafluorocyclohexa-1,3-diene

1,2,3,4,5,5,6,6-octafluorocyclohexa-1,3-diene (PubChem CID 593242) has the molecular formula C6F8 and a molecular weight of 224.05 g/mol. Its IUPAC name is 1,2,3,4,5,5,6,6-octafluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,3,4,5,5,6,6-octafluorocyclohexa-1,3-diene
PubChem CID593242
Molecular FormulaC6F8
Molecular Weight224.05 g/mol
Exact Mass223.99
IUPAC Name1,2,3,4,5,5,6,6-octafluorocyclohexa-1,3-diene
SMILESFC1=C(F)C(F)(F)C(F)(F)C(F)=C1F
InChIInChI=1S/C6F8/c7-1-2(8)4(10)6(13,14)5(11,12)3(1)9
InChIKeyNYEZNHLGLOQHEE-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.05
LogP ≤ 53.57
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-octafluorocyclohexa-1,3-diene?
The IUPAC name of 1,2,3,4,5,5,6,6-octafluorocyclohexa-1,3-diene (CID 593242) is 1,2,3,4,5,5,6,6-octafluorocyclohexa-1,3-diene.
What is the SMILES notation for 1,2,3,4,5,5,6,6-octafluorocyclohexa-1,3-diene?
The canonical SMILES for 1,2,3,4,5,5,6,6-octafluorocyclohexa-1,3-diene is FC1=C(F)C(F)(F)C(F)(F)C(F)=C1F.
What is the InChIKey of 1,2,3,4,5,5,6,6-octafluorocyclohexa-1,3-diene?
The InChIKey is NYEZNHLGLOQHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F8/c7-1-2(8)4(10)6(13,14)5(11,12)3(1)9.
What are the key properties of 1,2,3,4,5,5,6,6-octafluorocyclohexa-1,3-diene?
1,2,3,4,5,5,6,6-octafluorocyclohexa-1,3-diene has a molecular weight of 224.05 g/mol, XLogP of 3.57, 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-octafluorocyclohexa-1,3-diene is sourced from PubChem (CID 593242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).