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

C8H6F6 — CID 71374055

IUPAC1,3,3,4,6,6-hexafluoro-2,5-dimethylcyclohexa-1,4-diene
SMILESCC1=C(F)C(F)(F)C(C)=C(F)C1(F)F
InChIInChI=1S/C8H6F6/c1-3-5(9)8(13,14)4(2)6(10)7(3,11)12/h1-2H3
InChIKeyVZEVJKBXYWEBAY-UHFFFAOYSA-N
MW216.12 g/mol
LogP3.76
Rot. Bonds

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

1,3,3,4,6,6-hexafluoro-2,5-dimethylcyclohexa-1,4-diene (PubChem CID 71374055) has the molecular formula C8H6F6 and a molecular weight of 216.12 g/mol. Its IUPAC name is 1,3,3,4,6,6-hexafluoro-2,5-dimethylcyclohexa-1,4-diene.

Molecular Properties

Compound Name1,3,3,4,6,6-hexafluoro-2,5-dimethylcyclohexa-1,4-diene
PubChem CID71374055
Molecular FormulaC8H6F6
Molecular Weight216.12 g/mol
Exact Mass216.04
IUPAC Name1,3,3,4,6,6-hexafluoro-2,5-dimethylcyclohexa-1,4-diene
SMILESCC1=C(F)C(F)(F)C(C)=C(F)C1(F)F
InChIInChI=1S/C8H6F6/c1-3-5(9)8(13,14)4(2)6(10)7(3,11)12/h1-2H3
InChIKeyVZEVJKBXYWEBAY-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

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,6,6-hexafluoro-2,5-dimethylcyclohexa-1,4-diene?
The IUPAC name of 1,3,3,4,6,6-hexafluoro-2,5-dimethylcyclohexa-1,4-diene (CID 71374055) is 1,3,3,4,6,6-hexafluoro-2,5-dimethylcyclohexa-1,4-diene.
What is the SMILES notation for 1,3,3,4,6,6-hexafluoro-2,5-dimethylcyclohexa-1,4-diene?
The canonical SMILES for 1,3,3,4,6,6-hexafluoro-2,5-dimethylcyclohexa-1,4-diene is CC1=C(F)C(F)(F)C(C)=C(F)C1(F)F.
What is the InChIKey of 1,3,3,4,6,6-hexafluoro-2,5-dimethylcyclohexa-1,4-diene?
The InChIKey is VZEVJKBXYWEBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6/c1-3-5(9)8(13,14)4(2)6(10)7(3,11)12/h1-2H3.
What are the key properties of 1,3,3,4,6,6-hexafluoro-2,5-dimethylcyclohexa-1,4-diene?
1,3,3,4,6,6-hexafluoro-2,5-dimethylcyclohexa-1,4-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 1,3,3,4,6,6-hexafluoro-2,5-dimethylcyclohexa-1,4-diene is sourced from PubChem (CID 71374055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).