2,3,3,4,4,5,5,6-octafluoroocta-1,7-diene

C8H6F8 — CID 176896430

IUPAC2,3,3,4,4,5,5,6-octafluoroocta-1,7-diene
SMILESC=CC(F)C(F)(F)C(F)(F)C(F)(F)C(=C)F
InChIInChI=1S/C8H6F8/c1-3-5(10)7(13,14)8(15,16)6(11,12)4(2)9/h3,5H,1-2H2
InChIKeyOIQKERFFDZQJMT-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.90
Rot. Bonds5

About 2,3,3,4,4,5,5,6-octafluoroocta-1,7-diene

2,3,3,4,4,5,5,6-octafluoroocta-1,7-diene (PubChem CID 176896430) has the molecular formula C8H6F8 and a molecular weight of 254.12 g/mol. Its IUPAC name is 2,3,3,4,4,5,5,6-octafluoroocta-1,7-diene.

Molecular Properties

Compound Name2,3,3,4,4,5,5,6-octafluoroocta-1,7-diene
PubChem CID176896430
Molecular FormulaC8H6F8
Molecular Weight254.12 g/mol
Exact Mass254.03
IUPAC Name2,3,3,4,4,5,5,6-octafluoroocta-1,7-diene
SMILESC=CC(F)C(F)(F)C(F)(F)C(F)(F)C(=C)F
InChIInChI=1S/C8H6F8/c1-3-5(10)7(13,14)8(15,16)6(11,12)4(2)9/h3,5H,1-2H2
InChIKeyOIQKERFFDZQJMT-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.90
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 2,3,3,4,4,5,5,6-octafluoroocta-1,7-diene?
The IUPAC name of 2,3,3,4,4,5,5,6-octafluoroocta-1,7-diene (CID 176896430) is 2,3,3,4,4,5,5,6-octafluoroocta-1,7-diene.
What is the SMILES notation for 2,3,3,4,4,5,5,6-octafluoroocta-1,7-diene?
The canonical SMILES for 2,3,3,4,4,5,5,6-octafluoroocta-1,7-diene is C=CC(F)C(F)(F)C(F)(F)C(F)(F)C(=C)F.
What is the InChIKey of 2,3,3,4,4,5,5,6-octafluoroocta-1,7-diene?
The InChIKey is OIQKERFFDZQJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F8/c1-3-5(10)7(13,14)8(15,16)6(11,12)4(2)9/h3,5H,1-2H2.
What are the key properties of 2,3,3,4,4,5,5,6-octafluoroocta-1,7-diene?
2,3,3,4,4,5,5,6-octafluoroocta-1,7-diene has a molecular weight of 254.12 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,5,5,6-octafluoroocta-1,7-diene is sourced from PubChem (CID 176896430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).