1-(1,1,2,2-tetrafluoro-2-iodoethyl)cyclobutene

C6H5F4I — CID 19917288

IUPAC1-(1,1,2,2-tetrafluoro-2-iodoethyl)cyclobutene
SMILESFC(F)(I)C(F)(F)C1=CCC1
InChIInChI=1S/C6H5F4I/c7-5(8,6(9,10)11)4-2-1-3-4/h2H,1,3H2
InChIKeyVKTVXHGONUKVNQ-UHFFFAOYSA-N
MW280.00 g/mol
LogP3.37
Rot. Bonds2

About 1-(1,1,2,2-tetrafluoro-2-iodoethyl)cyclobutene

1-(1,1,2,2-tetrafluoro-2-iodoethyl)cyclobutene (PubChem CID 19917288) has the molecular formula C6H5F4I and a molecular weight of 280.00 g/mol. Its IUPAC name is 1-(1,1,2,2-tetrafluoro-2-iodoethyl)cyclobutene.

Molecular Properties

Compound Name1-(1,1,2,2-tetrafluoro-2-iodoethyl)cyclobutene
PubChem CID19917288
Molecular FormulaC6H5F4I
Molecular Weight280.00 g/mol
Exact Mass279.94
IUPAC Name1-(1,1,2,2-tetrafluoro-2-iodoethyl)cyclobutene
SMILESFC(F)(I)C(F)(F)C1=CCC1
InChIInChI=1S/C6H5F4I/c7-5(8,6(9,10)11)4-2-1-3-4/h2H,1,3H2
InChIKeyVKTVXHGONUKVNQ-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.00
LogP ≤ 53.37
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2-tetrafluoro-2-iodoethyl)cyclobutene?
The IUPAC name of 1-(1,1,2,2-tetrafluoro-2-iodoethyl)cyclobutene (CID 19917288) is 1-(1,1,2,2-tetrafluoro-2-iodoethyl)cyclobutene.
What is the SMILES notation for 1-(1,1,2,2-tetrafluoro-2-iodoethyl)cyclobutene?
The canonical SMILES for 1-(1,1,2,2-tetrafluoro-2-iodoethyl)cyclobutene is FC(F)(I)C(F)(F)C1=CCC1.
What is the InChIKey of 1-(1,1,2,2-tetrafluoro-2-iodoethyl)cyclobutene?
The InChIKey is VKTVXHGONUKVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F4I/c7-5(8,6(9,10)11)4-2-1-3-4/h2H,1,3H2.
What are the key properties of 1-(1,1,2,2-tetrafluoro-2-iodoethyl)cyclobutene?
1-(1,1,2,2-tetrafluoro-2-iodoethyl)cyclobutene has a molecular weight of 280.00 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2-tetrafluoro-2-iodoethyl)cyclobutene is sourced from PubChem (CID 19917288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).