1-iodo-1-(trifluoromethyl)cyclobutane

C5H6F3I — CID 129099757

IUPAC1-iodo-1-(trifluoromethyl)cyclobutane
SMILESFC(F)(F)C1(I)CCC1
InChIInChI=1S/C5H6F3I/c6-5(7,8)4(9)2-1-3-4/h1-3H2
InChIKeyRHCCUXLJLOLIEM-UHFFFAOYSA-N
MW250.00 g/mol
LogP2.91
Rot. Bonds

About 1-iodo-1-(trifluoromethyl)cyclobutane

1-iodo-1-(trifluoromethyl)cyclobutane (PubChem CID 129099757) has the molecular formula C5H6F3I and a molecular weight of 250.00 g/mol. Its IUPAC name is 1-iodo-1-(trifluoromethyl)cyclobutane.

Molecular Properties

Compound Name1-iodo-1-(trifluoromethyl)cyclobutane
PubChem CID129099757
Molecular FormulaC5H6F3I
Molecular Weight250.00 g/mol
Exact Mass249.95
IUPAC Name1-iodo-1-(trifluoromethyl)cyclobutane
SMILESFC(F)(F)C1(I)CCC1
InChIInChI=1S/C5H6F3I/c6-5(7,8)4(9)2-1-3-4/h1-3H2
InChIKeyRHCCUXLJLOLIEM-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.00
LogP ≤ 52.91
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-1-(trifluoromethyl)cyclobutane?
The IUPAC name of 1-iodo-1-(trifluoromethyl)cyclobutane (CID 129099757) is 1-iodo-1-(trifluoromethyl)cyclobutane.
What is the SMILES notation for 1-iodo-1-(trifluoromethyl)cyclobutane?
The canonical SMILES for 1-iodo-1-(trifluoromethyl)cyclobutane is FC(F)(F)C1(I)CCC1.
What is the InChIKey of 1-iodo-1-(trifluoromethyl)cyclobutane?
The InChIKey is RHCCUXLJLOLIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3I/c6-5(7,8)4(9)2-1-3-4/h1-3H2.
What are the key properties of 1-iodo-1-(trifluoromethyl)cyclobutane?
1-iodo-1-(trifluoromethyl)cyclobutane has a molecular weight of 250.00 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-1-(trifluoromethyl)cyclobutane is sourced from PubChem (CID 129099757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).