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

C6H4F5I — CID 22445946

IUPAC1,3,3,4,4-pentafluoro-2-(2-iodoethyl)cyclobutene
SMILESFC1=C(CCI)C(F)(F)C1(F)F
InChIInChI=1S/C6H4F5I/c7-4-3(1-2-12)5(8,9)6(4,10)11/h1-2H2
InChIKeyLXZJOWHWZVBWCF-UHFFFAOYSA-N
MW297.99 g/mol
LogP3.32
Rot. Bonds2

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

1,3,3,4,4-pentafluoro-2-(2-iodoethyl)cyclobutene (PubChem CID 22445946) has the molecular formula C6H4F5I and a molecular weight of 297.99 g/mol. Its IUPAC name is 1,3,3,4,4-pentafluoro-2-(2-iodoethyl)cyclobutene.

Molecular Properties

Compound Name1,3,3,4,4-pentafluoro-2-(2-iodoethyl)cyclobutene
PubChem CID22445946
Molecular FormulaC6H4F5I
Molecular Weight297.99 g/mol
Exact Mass297.93
IUPAC Name1,3,3,4,4-pentafluoro-2-(2-iodoethyl)cyclobutene
SMILESFC1=C(CCI)C(F)(F)C1(F)F
InChIInChI=1S/C6H4F5I/c7-4-3(1-2-12)5(8,9)6(4,10)11/h1-2H2
InChIKeyLXZJOWHWZVBWCF-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.99
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'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-(2-iodoethyl)cyclobutene?
The IUPAC name of 1,3,3,4,4-pentafluoro-2-(2-iodoethyl)cyclobutene (CID 22445946) is 1,3,3,4,4-pentafluoro-2-(2-iodoethyl)cyclobutene.
What is the SMILES notation for 1,3,3,4,4-pentafluoro-2-(2-iodoethyl)cyclobutene?
The canonical SMILES for 1,3,3,4,4-pentafluoro-2-(2-iodoethyl)cyclobutene is FC1=C(CCI)C(F)(F)C1(F)F.
What is the InChIKey of 1,3,3,4,4-pentafluoro-2-(2-iodoethyl)cyclobutene?
The InChIKey is LXZJOWHWZVBWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F5I/c7-4-3(1-2-12)5(8,9)6(4,10)11/h1-2H2.
What are the key properties of 1,3,3,4,4-pentafluoro-2-(2-iodoethyl)cyclobutene?
1,3,3,4,4-pentafluoro-2-(2-iodoethyl)cyclobutene has a molecular weight of 297.99 g/mol, XLogP of 3.32, 2 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-(2-iodoethyl)cyclobutene is sourced from PubChem (CID 22445946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).