1,1,2,2-tetrafluoro-3-(1,1,2,2,2-pentafluoroethyl)cyclobutane

C6H3F9 — CID 12025751

IUPAC1,1,2,2-tetrafluoro-3-(1,1,2,2,2-pentafluoroethyl)cyclobutane
SMILESFC(F)(F)C(F)(F)C1CC(F)(F)C1(F)F
InChIInChI=1S/C6H3F9/c7-3(8)1-2(4(3,9)10)5(11,12)6(13,14)15/h2H,1H2
InChIKeyRNHQFJSEOPZRNX-UHFFFAOYSA-N
MW246.07 g/mol
LogP3.47
Rot. Bonds1

About 1,1,2,2-tetrafluoro-3-(1,1,2,2,2-pentafluoroethyl)cyclobutane

1,1,2,2-tetrafluoro-3-(1,1,2,2,2-pentafluoroethyl)cyclobutane (PubChem CID 12025751) has the molecular formula C6H3F9 and a molecular weight of 246.07 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-3-(1,1,2,2,2-pentafluoroethyl)cyclobutane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-3-(1,1,2,2,2-pentafluoroethyl)cyclobutane
PubChem CID12025751
Molecular FormulaC6H3F9
Molecular Weight246.07 g/mol
Exact Mass246.01
IUPAC Name1,1,2,2-tetrafluoro-3-(1,1,2,2,2-pentafluoroethyl)cyclobutane
SMILESFC(F)(F)C(F)(F)C1CC(F)(F)C1(F)F
InChIInChI=1S/C6H3F9/c7-3(8)1-2(4(3,9)10)5(11,12)6(13,14)15/h2H,1H2
InChIKeyRNHQFJSEOPZRNX-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.07
LogP ≤ 53.47
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-tetrafluoro-3-(1,1,2,2,2-pentafluoroethyl)cyclobutane?
The IUPAC name of 1,1,2,2-tetrafluoro-3-(1,1,2,2,2-pentafluoroethyl)cyclobutane (CID 12025751) is 1,1,2,2-tetrafluoro-3-(1,1,2,2,2-pentafluoroethyl)cyclobutane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-3-(1,1,2,2,2-pentafluoroethyl)cyclobutane?
The canonical SMILES for 1,1,2,2-tetrafluoro-3-(1,1,2,2,2-pentafluoroethyl)cyclobutane is FC(F)(F)C(F)(F)C1CC(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-3-(1,1,2,2,2-pentafluoroethyl)cyclobutane?
The InChIKey is RNHQFJSEOPZRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F9/c7-3(8)1-2(4(3,9)10)5(11,12)6(13,14)15/h2H,1H2.
What are the key properties of 1,1,2,2-tetrafluoro-3-(1,1,2,2,2-pentafluoroethyl)cyclobutane?
1,1,2,2-tetrafluoro-3-(1,1,2,2,2-pentafluoroethyl)cyclobutane has a molecular weight of 246.07 g/mol, XLogP of 3.47, 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-tetrafluoro-3-(1,1,2,2,2-pentafluoroethyl)cyclobutane is sourced from PubChem (CID 12025751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).