1,2,5,5,6,6-hexafluoro-3,4-dimethylcyclohexa-1,3-diene

C8H6F6 — CID 612205

IUPAC1,2,5,5,6,6-hexafluoro-3,4-dimethylcyclohexa-1,3-diene
SMILESCC1=C(C)C(F)(F)C(F)(F)C(F)=C1F
InChIInChI=1S/C8H6F6/c1-3-4(2)7(11,12)8(13,14)6(10)5(3)9/h1-2H3
InChIKeyGYXWNOUHZDWTHT-UHFFFAOYSA-N
MW216.12 g/mol
LogP3.76
Rot. Bonds

About 1,2,5,5,6,6-hexafluoro-3,4-dimethylcyclohexa-1,3-diene

1,2,5,5,6,6-hexafluoro-3,4-dimethylcyclohexa-1,3-diene (PubChem CID 612205) has the molecular formula C8H6F6 and a molecular weight of 216.12 g/mol. Its IUPAC name is 1,2,5,5,6,6-hexafluoro-3,4-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,5,5,6,6-hexafluoro-3,4-dimethylcyclohexa-1,3-diene
PubChem CID612205
Molecular FormulaC8H6F6
Molecular Weight216.12 g/mol
Exact Mass216.04
IUPAC Name1,2,5,5,6,6-hexafluoro-3,4-dimethylcyclohexa-1,3-diene
SMILESCC1=C(C)C(F)(F)C(F)(F)C(F)=C1F
InChIInChI=1S/C8H6F6/c1-3-4(2)7(11,12)8(13,14)6(10)5(3)9/h1-2H3
InChIKeyGYXWNOUHZDWTHT-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,5,5,6,6-hexafluoro-3,4-dimethylcyclohexa-1,3-diene?
The IUPAC name of 1,2,5,5,6,6-hexafluoro-3,4-dimethylcyclohexa-1,3-diene (CID 612205) is 1,2,5,5,6,6-hexafluoro-3,4-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 1,2,5,5,6,6-hexafluoro-3,4-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 1,2,5,5,6,6-hexafluoro-3,4-dimethylcyclohexa-1,3-diene is CC1=C(C)C(F)(F)C(F)(F)C(F)=C1F.
What is the InChIKey of 1,2,5,5,6,6-hexafluoro-3,4-dimethylcyclohexa-1,3-diene?
The InChIKey is GYXWNOUHZDWTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6/c1-3-4(2)7(11,12)8(13,14)6(10)5(3)9/h1-2H3.
What are the key properties of 1,2,5,5,6,6-hexafluoro-3,4-dimethylcyclohexa-1,3-diene?
1,2,5,5,6,6-hexafluoro-3,4-dimethylcyclohexa-1,3-diene has a molecular weight of 216.12 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,5,6,6-hexafluoro-3,4-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 612205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).