1,2,3,3,4,4-hexafluorocyclobutene

C8F12 — CID 141228872

IUPAC1,2,3,3,4,4-hexafluorocyclobutene
SMILESFC1=C(F)C(F)(F)C1(F)F.FC1=C(F)C(F)(F)C1(F)F
InChIInChI=1S/2C4F6/c2*5-1-2(6)4(9,10)3(1,7)8
InChIKeyJTHKWHGDTZPWEZ-UHFFFAOYSA-N
MW324.06 g/mol
LogP4.84
Rot. Bonds

About 1,2,3,3,4,4-hexafluorocyclobutene

1,2,3,3,4,4-hexafluorocyclobutene (PubChem CID 141228872) has the molecular formula C8F12 and a molecular weight of 324.06 g/mol. Its IUPAC name is 1,2,3,3,4,4-hexafluorocyclobutene.

Molecular Properties

Compound Name1,2,3,3,4,4-hexafluorocyclobutene
PubChem CID141228872
Molecular FormulaC8F12
Molecular Weight324.06 g/mol
Exact Mass323.98
IUPAC Name1,2,3,3,4,4-hexafluorocyclobutene
SMILESFC1=C(F)C(F)(F)C1(F)F.FC1=C(F)C(F)(F)C1(F)F
InChIInChI=1S/2C4F6/c2*5-1-2(6)4(9,10)3(1,7)8
InChIKeyJTHKWHGDTZPWEZ-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'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,4,4-hexafluorocyclobutene?
The IUPAC name of 1,2,3,3,4,4-hexafluorocyclobutene (CID 141228872) is 1,2,3,3,4,4-hexafluorocyclobutene.
What is the SMILES notation for 1,2,3,3,4,4-hexafluorocyclobutene?
The canonical SMILES for 1,2,3,3,4,4-hexafluorocyclobutene is FC1=C(F)C(F)(F)C1(F)F.FC1=C(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2,3,3,4,4-hexafluorocyclobutene?
The InChIKey is JTHKWHGDTZPWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4F6/c2*5-1-2(6)4(9,10)3(1,7)8.
What are the key properties of 1,2,3,3,4,4-hexafluorocyclobutene?
1,2,3,3,4,4-hexafluorocyclobutene 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 1,2,3,3,4,4-hexafluorocyclobutene is sourced from PubChem (CID 141228872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).