4-bromo-1-(chloromethyl)-2-fluorobenzene;methane

C8H9BrClF — CID 174575273

IUPAC4-bromo-1-(chloromethyl)-2-fluorobenzene;methane
SMILESC.Fc1cc(Br)ccc1CCl
InChIInChI=1S/C7H5BrClF.CH4/c8-6-2-1-5(4-9)7(10)3-6;/h1-3H,4H2;1H4
InChIKeyUPPPABGPPLKNLZ-UHFFFAOYSA-N
MW239.51 g/mol
LogP3.96
Rot. Bonds1

About 4-bromo-1-(chloromethyl)-2-fluorobenzene;methane

4-bromo-1-(chloromethyl)-2-fluorobenzene;methane (PubChem CID 174575273) has the molecular formula C8H9BrClF and a molecular weight of 239.51 g/mol. Its IUPAC name is 4-bromo-1-(chloromethyl)-2-fluorobenzene;methane.

Molecular Properties

Compound Name4-bromo-1-(chloromethyl)-2-fluorobenzene;methane
PubChem CID174575273
Molecular FormulaC8H9BrClF
Molecular Weight239.51 g/mol
Exact Mass237.96
IUPAC Name4-bromo-1-(chloromethyl)-2-fluorobenzene;methane
SMILESC.Fc1cc(Br)ccc1CCl
InChIInChI=1S/C7H5BrClF.CH4/c8-6-2-1-5(4-9)7(10)3-6;/h1-3H,4H2;1H4
InChIKeyUPPPABGPPLKNLZ-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.51
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-bromo-1-(chloromethyl)-2-fluorobenzene;methane with MolForge

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

Launch Full Analysis

Related Compounds

CID 88874839
CID 88874839
2-(4-bromo-2-fluorophenyl)acetyl iodide
CID 90435604
2-bromo-1-[(4-bromo-2-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63536412
4-bromo-1-(chloromethyl)-2-(4-chlorophenoxy)benzene
CID 43174130
N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-N-methylethanamine
CID 63386609
1-[4-bromo-2-(chloromethyl)phenoxy]-2,4-difluorobenzene
CID 114061643
4-(chloromethyl)-3-fluorophenol
CID 54246792
4-bromo-2-(bromomethyl)-1-(chloromethyl)benzene
CID 90107482
4-bromo-1-[4-[4-(4-bromo-2-fluorophenyl)butoxy]butyl]-2-fluorobenzene
CID 164578261
3-(4-bromo-2-fluorophenyl)-1,1,1-trifluoropropan-2-one
CID 62963334
4-bromo-2-(chloromethyl)-1-(trifluoromethoxy)benzene
CID 72699152
2-(4-bromo-2-fluorophenyl)acetaldehyde
CID 28875384

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(chloromethyl)-2-fluorobenzene;methane?
The IUPAC name of 4-bromo-1-(chloromethyl)-2-fluorobenzene;methane (CID 174575273) is 4-bromo-1-(chloromethyl)-2-fluorobenzene;methane.
What is the SMILES notation for 4-bromo-1-(chloromethyl)-2-fluorobenzene;methane?
The canonical SMILES for 4-bromo-1-(chloromethyl)-2-fluorobenzene;methane is C.Fc1cc(Br)ccc1CCl.
What is the InChIKey of 4-bromo-1-(chloromethyl)-2-fluorobenzene;methane?
The InChIKey is UPPPABGPPLKNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF.CH4/c8-6-2-1-5(4-9)7(10)3-6;/h1-3H,4H2;1H4.
What are the key properties of 4-bromo-1-(chloromethyl)-2-fluorobenzene;methane?
4-bromo-1-(chloromethyl)-2-fluorobenzene;methane has a molecular weight of 239.51 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(chloromethyl)-2-fluorobenzene;methane is sourced from PubChem (CID 174575273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).