1,3,5,5,6,6-hexafluoro-2,4-bis(trifluoromethyl)cyclohexa-1,3-diene

C8F12 — CID 11290265

IUPAC1,3,5,5,6,6-hexafluoro-2,4-bis(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC1=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)=C1C(F)(F)F
InChIInChI=1S/C8F12/c9-2-1(7(15,16)17)4(10)6(13,14)5(11,12)3(2)8(18,19)20
InChIKeyILFXCUFYRIAWPF-UHFFFAOYSA-N
MW324.06 g/mol
LogP4.84
Rot. Bonds

About 1,3,5,5,6,6-hexafluoro-2,4-bis(trifluoromethyl)cyclohexa-1,3-diene

1,3,5,5,6,6-hexafluoro-2,4-bis(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 11290265) has the molecular formula C8F12 and a molecular weight of 324.06 g/mol. Its IUPAC name is 1,3,5,5,6,6-hexafluoro-2,4-bis(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,3,5,5,6,6-hexafluoro-2,4-bis(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID11290265
Molecular FormulaC8F12
Molecular Weight324.06 g/mol
Exact Mass323.98
IUPAC Name1,3,5,5,6,6-hexafluoro-2,4-bis(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC1=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)=C1C(F)(F)F
InChIInChI=1S/C8F12/c9-2-1(7(15,16)17)4(10)6(13,14)5(11,12)3(2)8(18,19)20
InChIKeyILFXCUFYRIAWPF-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.06
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3,5,5,6,6-hexafluoro-2,4-bis(trifluoromethyl)cyclohexa-1,3-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 1,3,5,5,6,6-hexafluoro-2,4-bis(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 1,3,5,5,6,6-hexafluoro-2,4-bis(trifluoromethyl)cyclohexa-1,3-diene (CID 11290265) is 1,3,5,5,6,6-hexafluoro-2,4-bis(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1,3,5,5,6,6-hexafluoro-2,4-bis(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 1,3,5,5,6,6-hexafluoro-2,4-bis(trifluoromethyl)cyclohexa-1,3-diene is FC1=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)=C1C(F)(F)F.
What is the InChIKey of 1,3,5,5,6,6-hexafluoro-2,4-bis(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is ILFXCUFYRIAWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F12/c9-2-1(7(15,16)17)4(10)6(13,14)5(11,12)3(2)8(18,19)20.
What are the key properties of 1,3,5,5,6,6-hexafluoro-2,4-bis(trifluoromethyl)cyclohexa-1,3-diene?
1,3,5,5,6,6-hexafluoro-2,4-bis(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 324.06 g/mol, XLogP of 4.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,5,6,6-hexafluoro-2,4-bis(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 11290265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).