1,2,3,3,6,6-hexafluoro-4,5-dimethylcyclohexene

C8H8F6 — CID 20802222

IUPAC1,2,3,3,6,6-hexafluoro-4,5-dimethylcyclohexene
SMILESCC1C(C)C(F)(F)C(F)=C(F)C1(F)F
InChIInChI=1S/C8H8F6/c1-3-4(2)8(13,14)6(10)5(9)7(3,11)12/h3-4H,1-2H3
InChIKeyWVCZXOBWTFNTTF-UHFFFAOYSA-N
MW218.14 g/mol
LogP3.69
Rot. Bonds

About 1,2,3,3,6,6-hexafluoro-4,5-dimethylcyclohexene

1,2,3,3,6,6-hexafluoro-4,5-dimethylcyclohexene (PubChem CID 20802222) has the molecular formula C8H8F6 and a molecular weight of 218.14 g/mol. Its IUPAC name is 1,2,3,3,6,6-hexafluoro-4,5-dimethylcyclohexene.

Molecular Properties

Compound Name1,2,3,3,6,6-hexafluoro-4,5-dimethylcyclohexene
PubChem CID20802222
Molecular FormulaC8H8F6
Molecular Weight218.14 g/mol
Exact Mass218.05
IUPAC Name1,2,3,3,6,6-hexafluoro-4,5-dimethylcyclohexene
SMILESCC1C(C)C(F)(F)C(F)=C(F)C1(F)F
InChIInChI=1S/C8H8F6/c1-3-4(2)8(13,14)6(10)5(9)7(3,11)12/h3-4H,1-2H3
InChIKeyWVCZXOBWTFNTTF-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,6,6-hexafluoro-4,5-dimethylcyclohexene?
The IUPAC name of 1,2,3,3,6,6-hexafluoro-4,5-dimethylcyclohexene (CID 20802222) is 1,2,3,3,6,6-hexafluoro-4,5-dimethylcyclohexene.
What is the SMILES notation for 1,2,3,3,6,6-hexafluoro-4,5-dimethylcyclohexene?
The canonical SMILES for 1,2,3,3,6,6-hexafluoro-4,5-dimethylcyclohexene is CC1C(C)C(F)(F)C(F)=C(F)C1(F)F.
What is the InChIKey of 1,2,3,3,6,6-hexafluoro-4,5-dimethylcyclohexene?
The InChIKey is WVCZXOBWTFNTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6/c1-3-4(2)8(13,14)6(10)5(9)7(3,11)12/h3-4H,1-2H3.
What are the key properties of 1,2,3,3,6,6-hexafluoro-4,5-dimethylcyclohexene?
1,2,3,3,6,6-hexafluoro-4,5-dimethylcyclohexene has a molecular weight of 218.14 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,6,6-hexafluoro-4,5-dimethylcyclohexene is sourced from PubChem (CID 20802222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).