1,3,3,4,4-pentafluoro-2-(1,2,2,2-tetrafluoroethyl)cyclobutene

C6HF9 — CID 71391353

IUPAC1,3,3,4,4-pentafluoro-2-(1,2,2,2-tetrafluoroethyl)cyclobutene
SMILESFC1=C(C(F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C6HF9/c7-2-1(3(8)6(13,14)15)4(9,10)5(2,11)12/h3H
InChIKeyRHJWLZLXFPHOAX-UHFFFAOYSA-N
MW244.06 g/mol
LogP3.39
Rot. Bonds1

About 1,3,3,4,4-pentafluoro-2-(1,2,2,2-tetrafluoroethyl)cyclobutene

1,3,3,4,4-pentafluoro-2-(1,2,2,2-tetrafluoroethyl)cyclobutene (PubChem CID 71391353) has the molecular formula C6HF9 and a molecular weight of 244.06 g/mol. Its IUPAC name is 1,3,3,4,4-pentafluoro-2-(1,2,2,2-tetrafluoroethyl)cyclobutene.

Molecular Properties

Compound Name1,3,3,4,4-pentafluoro-2-(1,2,2,2-tetrafluoroethyl)cyclobutene
PubChem CID71391353
Molecular FormulaC6HF9
Molecular Weight244.06 g/mol
Exact Mass243.99
IUPAC Name1,3,3,4,4-pentafluoro-2-(1,2,2,2-tetrafluoroethyl)cyclobutene
SMILESFC1=C(C(F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C6HF9/c7-2-1(3(8)6(13,14)15)4(9,10)5(2,11)12/h3H
InChIKeyRHJWLZLXFPHOAX-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.06
LogP ≤ 53.39
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 1,3,3,4,4-pentafluoro-2-(1,2,2,2-tetrafluoroethyl)cyclobutene?
The IUPAC name of 1,3,3,4,4-pentafluoro-2-(1,2,2,2-tetrafluoroethyl)cyclobutene (CID 71391353) is 1,3,3,4,4-pentafluoro-2-(1,2,2,2-tetrafluoroethyl)cyclobutene.
What is the SMILES notation for 1,3,3,4,4-pentafluoro-2-(1,2,2,2-tetrafluoroethyl)cyclobutene?
The canonical SMILES for 1,3,3,4,4-pentafluoro-2-(1,2,2,2-tetrafluoroethyl)cyclobutene is FC1=C(C(F)C(F)(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 1,3,3,4,4-pentafluoro-2-(1,2,2,2-tetrafluoroethyl)cyclobutene?
The InChIKey is RHJWLZLXFPHOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF9/c7-2-1(3(8)6(13,14)15)4(9,10)5(2,11)12/h3H.
What are the key properties of 1,3,3,4,4-pentafluoro-2-(1,2,2,2-tetrafluoroethyl)cyclobutene?
1,3,3,4,4-pentafluoro-2-(1,2,2,2-tetrafluoroethyl)cyclobutene has a molecular weight of 244.06 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4-pentafluoro-2-(1,2,2,2-tetrafluoroethyl)cyclobutene is sourced from PubChem (CID 71391353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).