3,4-difluoro-2,5-dimethylhexa-2,4-diene

C8H12F2 — CID 90055681

IUPAC3,4-difluoro-2,5-dimethylhexa-2,4-diene
SMILESCC(C)=C(F)C(F)=C(C)C
InChIInChI=1S/C8H12F2/c1-5(2)7(9)8(10)6(3)4/h1-4H3
InChIKeyLZCDCJORKHOCFL-UHFFFAOYSA-N
MW146.18 g/mol
LogP3.51
Rot. Bonds1

About 3,4-difluoro-2,5-dimethylhexa-2,4-diene

3,4-difluoro-2,5-dimethylhexa-2,4-diene (PubChem CID 90055681) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is 3,4-difluoro-2,5-dimethylhexa-2,4-diene.

Molecular Properties

Compound Name3,4-difluoro-2,5-dimethylhexa-2,4-diene
PubChem CID90055681
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name3,4-difluoro-2,5-dimethylhexa-2,4-diene
SMILESCC(C)=C(F)C(F)=C(C)C
InChIInChI=1S/C8H12F2/c1-5(2)7(9)8(10)6(3)4/h1-4H3
InChIKeyLZCDCJORKHOCFL-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.18
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,4-difluoro-2,5-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 3,4-difluoro-2,5-dimethylhexa-2,4-diene?
The IUPAC name of 3,4-difluoro-2,5-dimethylhexa-2,4-diene (CID 90055681) is 3,4-difluoro-2,5-dimethylhexa-2,4-diene.
What is the SMILES notation for 3,4-difluoro-2,5-dimethylhexa-2,4-diene?
The canonical SMILES for 3,4-difluoro-2,5-dimethylhexa-2,4-diene is CC(C)=C(F)C(F)=C(C)C.
What is the InChIKey of 3,4-difluoro-2,5-dimethylhexa-2,4-diene?
The InChIKey is LZCDCJORKHOCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2/c1-5(2)7(9)8(10)6(3)4/h1-4H3.
What are the key properties of 3,4-difluoro-2,5-dimethylhexa-2,4-diene?
3,4-difluoro-2,5-dimethylhexa-2,4-diene has a molecular weight of 146.18 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2,5-dimethylhexa-2,4-diene is sourced from PubChem (CID 90055681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).