1-(bromomethyl)-2-chloro-4-fluorobenzene

C7H5BrClF — CID 2725062

IUPAC1-(bromomethyl)-2-chloro-4-fluorobenzene
SMILESFc1ccc(CBr)c(Cl)c1
InChIInChI=1S/C7H5BrClF/c8-4-5-1-2-6(10)3-7(5)9/h1-3H,4H2
InChIKeyGAUUDQVOPUKGJD-UHFFFAOYSA-N
MW223.47 g/mol
LogP3.37
Rot. Bonds1

About 1-(bromomethyl)-2-chloro-4-fluorobenzene

1-(bromomethyl)-2-chloro-4-fluorobenzene (PubChem CID 2725062) has the molecular formula C7H5BrClF and a molecular weight of 223.47 g/mol. Its IUPAC name is 1-(bromomethyl)-2-chloro-4-fluorobenzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-chloro-4-fluorobenzene
PubChem CID2725062
Molecular FormulaC7H5BrClF
Molecular Weight223.47 g/mol
Exact Mass221.92
IUPAC Name1-(bromomethyl)-2-chloro-4-fluorobenzene
SMILESFc1ccc(CBr)c(Cl)c1
InChIInChI=1S/C7H5BrClF/c8-4-5-1-2-6(10)3-7(5)9/h1-3H,4H2
InChIKeyGAUUDQVOPUKGJD-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-chloro-4-fluorobenzene?
The IUPAC name of 1-(bromomethyl)-2-chloro-4-fluorobenzene (CID 2725062) is 1-(bromomethyl)-2-chloro-4-fluorobenzene.
What is the SMILES notation for 1-(bromomethyl)-2-chloro-4-fluorobenzene?
The canonical SMILES for 1-(bromomethyl)-2-chloro-4-fluorobenzene is Fc1ccc(CBr)c(Cl)c1.
What is the InChIKey of 1-(bromomethyl)-2-chloro-4-fluorobenzene?
The InChIKey is GAUUDQVOPUKGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF/c8-4-5-1-2-6(10)3-7(5)9/h1-3H,4H2.
What are the key properties of 1-(bromomethyl)-2-chloro-4-fluorobenzene?
1-(bromomethyl)-2-chloro-4-fluorobenzene has a molecular weight of 223.47 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-chloro-4-fluorobenzene is sourced from PubChem (CID 2725062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).