1-bromo-1-(iodomethyl)cyclobutane

C5H8BrI — CID 91694340

IUPAC1-bromo-1-(iodomethyl)cyclobutane
SMILESBrC1(CI)CCC1
InChIInChI=1S/C5H8BrI/c6-5(4-7)2-1-3-5/h1-4H2
InChIKeyQOXQFPKWTGMHSG-UHFFFAOYSA-N
MW274.93 g/mol
LogP2.74
Rot. Bonds1

About 1-bromo-1-(iodomethyl)cyclobutane

1-bromo-1-(iodomethyl)cyclobutane (PubChem CID 91694340) has the molecular formula C5H8BrI and a molecular weight of 274.93 g/mol. Its IUPAC name is 1-bromo-1-(iodomethyl)cyclobutane.

Molecular Properties

Compound Name1-bromo-1-(iodomethyl)cyclobutane
PubChem CID91694340
Molecular FormulaC5H8BrI
Molecular Weight274.93 g/mol
Exact Mass273.89
IUPAC Name1-bromo-1-(iodomethyl)cyclobutane
SMILESBrC1(CI)CCC1
InChIInChI=1S/C5H8BrI/c6-5(4-7)2-1-3-5/h1-4H2
InChIKeyQOXQFPKWTGMHSG-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.93
LogP ≤ 52.74
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-bromo-1-(iodomethyl)cyclobutane?
The IUPAC name of 1-bromo-1-(iodomethyl)cyclobutane (CID 91694340) is 1-bromo-1-(iodomethyl)cyclobutane.
What is the SMILES notation for 1-bromo-1-(iodomethyl)cyclobutane?
The canonical SMILES for 1-bromo-1-(iodomethyl)cyclobutane is BrC1(CI)CCC1.
What is the InChIKey of 1-bromo-1-(iodomethyl)cyclobutane?
The InChIKey is QOXQFPKWTGMHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrI/c6-5(4-7)2-1-3-5/h1-4H2.
What are the key properties of 1-bromo-1-(iodomethyl)cyclobutane?
1-bromo-1-(iodomethyl)cyclobutane has a molecular weight of 274.93 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-(iodomethyl)cyclobutane is sourced from PubChem (CID 91694340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).