1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)cyclobutane

C8F12 — CID 12525334

IUPAC1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)cyclobutane
SMILESFC1=C(C2(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C8F12/c9-2-1(4(11,12)5(2,13)14)3(10)6(15,16)8(19,20)7(3,17)18
InChIKeySLFYQMTUBVEDBT-UHFFFAOYSA-N
MW324.06 g/mol
LogP4.12
Rot. Bonds1

About 1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)cyclobutane

1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)cyclobutane (PubChem CID 12525334) has the molecular formula C8F12 and a molecular weight of 324.06 g/mol. Its IUPAC name is 1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)cyclobutane.

Molecular Properties

Compound Name1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)cyclobutane
PubChem CID12525334
Molecular FormulaC8F12
Molecular Weight324.06 g/mol
Exact Mass323.98
IUPAC Name1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)cyclobutane
SMILESFC1=C(C2(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C8F12/c9-2-1(4(11,12)5(2,13)14)3(10)6(15,16)8(19,20)7(3,17)18
InChIKeySLFYQMTUBVEDBT-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.06
LogP ≤ 54.12
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 1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)cyclobutane?
The IUPAC name of 1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)cyclobutane (CID 12525334) is 1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)cyclobutane.
What is the SMILES notation for 1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)cyclobutane?
The canonical SMILES for 1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)cyclobutane is FC1=C(C2(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)cyclobutane?
The InChIKey is SLFYQMTUBVEDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F12/c9-2-1(4(11,12)5(2,13)14)3(10)6(15,16)8(19,20)7(3,17)18.
What are the key properties of 1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)cyclobutane?
1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)cyclobutane has a molecular weight of 324.06 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)cyclobutane is sourced from PubChem (CID 12525334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).