1-[1-(bromomethyl)cyclobutyl]-2-fluorobenzene

C11H12BrF — CID 83693048

IUPAC1-[1-(bromomethyl)cyclobutyl]-2-fluorobenzene
SMILESFc1ccccc1C1(CBr)CCC1
InChIInChI=1S/C11H12BrF/c12-8-11(6-3-7-11)9-4-1-2-5-10(9)13/h1-2,4-5H,3,6-8H2
InChIKeyWZEQUVMMYQVASJ-UHFFFAOYSA-N
MW243.12 g/mol
LogP3.64
Rot. Bonds2

About 1-[1-(bromomethyl)cyclobutyl]-2-fluorobenzene

1-[1-(bromomethyl)cyclobutyl]-2-fluorobenzene (PubChem CID 83693048) has the molecular formula C11H12BrF and a molecular weight of 243.12 g/mol. Its IUPAC name is 1-[1-(bromomethyl)cyclobutyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[1-(bromomethyl)cyclobutyl]-2-fluorobenzene
PubChem CID83693048
Molecular FormulaC11H12BrF
Molecular Weight243.12 g/mol
Exact Mass242.01
IUPAC Name1-[1-(bromomethyl)cyclobutyl]-2-fluorobenzene
SMILESFc1ccccc1C1(CBr)CCC1
InChIInChI=1S/C11H12BrF/c12-8-11(6-3-7-11)9-4-1-2-5-10(9)13/h1-2,4-5H,3,6-8H2
InChIKeyWZEQUVMMYQVASJ-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.12
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[1-(bromomethyl)cyclobutyl]-2-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(bromomethyl)cyclobutyl]-2-fluorobenzene?
The IUPAC name of 1-[1-(bromomethyl)cyclobutyl]-2-fluorobenzene (CID 83693048) is 1-[1-(bromomethyl)cyclobutyl]-2-fluorobenzene.
What is the SMILES notation for 1-[1-(bromomethyl)cyclobutyl]-2-fluorobenzene?
The canonical SMILES for 1-[1-(bromomethyl)cyclobutyl]-2-fluorobenzene is Fc1ccccc1C1(CBr)CCC1.
What is the InChIKey of 1-[1-(bromomethyl)cyclobutyl]-2-fluorobenzene?
The InChIKey is WZEQUVMMYQVASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF/c12-8-11(6-3-7-11)9-4-1-2-5-10(9)13/h1-2,4-5H,3,6-8H2.
What are the key properties of 1-[1-(bromomethyl)cyclobutyl]-2-fluorobenzene?
1-[1-(bromomethyl)cyclobutyl]-2-fluorobenzene has a molecular weight of 243.12 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(bromomethyl)cyclobutyl]-2-fluorobenzene is sourced from PubChem (CID 83693048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).