1,1,1,2,5,6,6,6-octafluoro-3,4-dimethylhexa-2,4-diene

C8H6F8 — CID 173395165

IUPAC1,1,1,2,5,6,6,6-octafluoro-3,4-dimethylhexa-2,4-diene
SMILESCC(C(C)=C(F)C(F)(F)F)=C(F)C(F)(F)F
InChIInChI=1S/C8H6F8/c1-3(5(9)7(11,12)13)4(2)6(10)8(14,15)16/h1-2H3
InChIKeyJYDJKDNLIURTNL-UHFFFAOYSA-N
MW254.12 g/mol
LogP4.60
Rot. Bonds1

About 1,1,1,2,5,6,6,6-octafluoro-3,4-dimethylhexa-2,4-diene

1,1,1,2,5,6,6,6-octafluoro-3,4-dimethylhexa-2,4-diene (PubChem CID 173395165) has the molecular formula C8H6F8 and a molecular weight of 254.12 g/mol. Its IUPAC name is 1,1,1,2,5,6,6,6-octafluoro-3,4-dimethylhexa-2,4-diene.

Molecular Properties

Compound Name1,1,1,2,5,6,6,6-octafluoro-3,4-dimethylhexa-2,4-diene
PubChem CID173395165
Molecular FormulaC8H6F8
Molecular Weight254.12 g/mol
Exact Mass254.03
IUPAC Name1,1,1,2,5,6,6,6-octafluoro-3,4-dimethylhexa-2,4-diene
SMILESCC(C(C)=C(F)C(F)(F)F)=C(F)C(F)(F)F
InChIInChI=1S/C8H6F8/c1-3(5(9)7(11,12)13)4(2)6(10)8(14,15)16/h1-2H3
InChIKeyJYDJKDNLIURTNL-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1,2,5,6,6,6-octafluoro-3,4-dimethylhexa-2,4-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,5,6,6,6-octafluoro-3,4-dimethylhexa-2,4-diene?
The IUPAC name of 1,1,1,2,5,6,6,6-octafluoro-3,4-dimethylhexa-2,4-diene (CID 173395165) is 1,1,1,2,5,6,6,6-octafluoro-3,4-dimethylhexa-2,4-diene.
What is the SMILES notation for 1,1,1,2,5,6,6,6-octafluoro-3,4-dimethylhexa-2,4-diene?
The canonical SMILES for 1,1,1,2,5,6,6,6-octafluoro-3,4-dimethylhexa-2,4-diene is CC(C(C)=C(F)C(F)(F)F)=C(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,5,6,6,6-octafluoro-3,4-dimethylhexa-2,4-diene?
The InChIKey is JYDJKDNLIURTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F8/c1-3(5(9)7(11,12)13)4(2)6(10)8(14,15)16/h1-2H3.
What are the key properties of 1,1,1,2,5,6,6,6-octafluoro-3,4-dimethylhexa-2,4-diene?
1,1,1,2,5,6,6,6-octafluoro-3,4-dimethylhexa-2,4-diene has a molecular weight of 254.12 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,5,6,6,6-octafluoro-3,4-dimethylhexa-2,4-diene is sourced from PubChem (CID 173395165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).