1,1,2,7,8,8-hexafluoroocta-1,7-diene

C8H8F6 — CID 121284332

IUPAC1,1,2,7,8,8-hexafluoroocta-1,7-diene
SMILESFC(F)=C(F)CCCCC(F)=C(F)F
InChIInChI=1S/C8H8F6/c9-5(7(11)12)3-1-2-4-6(10)8(13)14/h1-4H2
InChIKeyZJUDVSSDBVELFI-UHFFFAOYSA-N
MW218.14 g/mol
LogP4.70
Rot. Bonds5

About 1,1,2,7,8,8-hexafluoroocta-1,7-diene

1,1,2,7,8,8-hexafluoroocta-1,7-diene (PubChem CID 121284332) has the molecular formula C8H8F6 and a molecular weight of 218.14 g/mol. Its IUPAC name is 1,1,2,7,8,8-hexafluoroocta-1,7-diene.

Molecular Properties

Compound Name1,1,2,7,8,8-hexafluoroocta-1,7-diene
PubChem CID121284332
Molecular FormulaC8H8F6
Molecular Weight218.14 g/mol
Exact Mass218.05
IUPAC Name1,1,2,7,8,8-hexafluoroocta-1,7-diene
SMILESFC(F)=C(F)CCCCC(F)=C(F)F
InChIInChI=1S/C8H8F6/c9-5(7(11)12)3-1-2-4-6(10)8(13)14/h1-4H2
InChIKeyZJUDVSSDBVELFI-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,7,8,8-hexafluoroocta-1,7-diene?
The IUPAC name of 1,1,2,7,8,8-hexafluoroocta-1,7-diene (CID 121284332) is 1,1,2,7,8,8-hexafluoroocta-1,7-diene.
What is the SMILES notation for 1,1,2,7,8,8-hexafluoroocta-1,7-diene?
The canonical SMILES for 1,1,2,7,8,8-hexafluoroocta-1,7-diene is FC(F)=C(F)CCCCC(F)=C(F)F.
What is the InChIKey of 1,1,2,7,8,8-hexafluoroocta-1,7-diene?
The InChIKey is ZJUDVSSDBVELFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6/c9-5(7(11)12)3-1-2-4-6(10)8(13)14/h1-4H2.
What are the key properties of 1,1,2,7,8,8-hexafluoroocta-1,7-diene?
1,1,2,7,8,8-hexafluoroocta-1,7-diene has a molecular weight of 218.14 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,7,8,8-hexafluoroocta-1,7-diene is sourced from PubChem (CID 121284332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).