5-bromo-2-(bromomethyl)-1-chloro-3-fluorobenzene

C7H4Br2ClF — CID 126843160

IUPAC5-bromo-2-(bromomethyl)-1-chloro-3-fluorobenzene
SMILESFc1cc(Br)cc(Cl)c1CBr
InChIInChI=1S/C7H4Br2ClF/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2H,3H2
InChIKeyVJBLHJKMOGDSCI-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.14
Rot. Bonds1

About 5-bromo-2-(bromomethyl)-1-chloro-3-fluorobenzene

5-bromo-2-(bromomethyl)-1-chloro-3-fluorobenzene (PubChem CID 126843160) has the molecular formula C7H4Br2ClF and a molecular weight of 302.37 g/mol. Its IUPAC name is 5-bromo-2-(bromomethyl)-1-chloro-3-fluorobenzene.

Molecular Properties

Compound Name5-bromo-2-(bromomethyl)-1-chloro-3-fluorobenzene
PubChem CID126843160
Molecular FormulaC7H4Br2ClF
Molecular Weight302.37 g/mol
Exact Mass299.84
IUPAC Name5-bromo-2-(bromomethyl)-1-chloro-3-fluorobenzene
SMILESFc1cc(Br)cc(Cl)c1CBr
InChIInChI=1S/C7H4Br2ClF/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2H,3H2
InChIKeyVJBLHJKMOGDSCI-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(bromomethyl)-1-chloro-3-fluorobenzene 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

1-(Bromomethyl)-2-chloro-4-fluorobenzene
CID 2725062
4-Bromo-2-chlorotoluene
CID 2735554
1-Bromo-3-chloro-2-(trifluoromethyl)benzene
CID 20269851
4-Bromo-2-chloro-1-ethenylbenzene
CID 57842713
2-Bromo-6-chlorotoluene
CID 123552
1-Bromo-2-chloro-5-fluoro-4-methylbenzene
CID 2773272
2-Chloro-5-fluorobenzyl bromide
CID 2773623
2-Chloro-6-fluorobenzyl bromide
CID 2773625
1-(Bromomethyl)-2-chloro-4,5-difluorobenzene
CID 17750747
1-Bromo-3-chloro-2-fluoro-4-methylbenzene
CID 52982962
4-Bromo-2-chloro-5-fluorotoluene
CID 2736228
1-Bromo-2-(bromomethyl)-3-chlorobenzene
CID 2756872

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(bromomethyl)-1-chloro-3-fluorobenzene?
The IUPAC name of 5-bromo-2-(bromomethyl)-1-chloro-3-fluorobenzene (CID 126843160) is 5-bromo-2-(bromomethyl)-1-chloro-3-fluorobenzene.
What is the SMILES notation for 5-bromo-2-(bromomethyl)-1-chloro-3-fluorobenzene?
The canonical SMILES for 5-bromo-2-(bromomethyl)-1-chloro-3-fluorobenzene is Fc1cc(Br)cc(Cl)c1CBr.
What is the InChIKey of 5-bromo-2-(bromomethyl)-1-chloro-3-fluorobenzene?
The InChIKey is VJBLHJKMOGDSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2ClF/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2H,3H2.
What are the key properties of 5-bromo-2-(bromomethyl)-1-chloro-3-fluorobenzene?
5-bromo-2-(bromomethyl)-1-chloro-3-fluorobenzene has a molecular weight of 302.37 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(bromomethyl)-1-chloro-3-fluorobenzene is sourced from PubChem (CID 126843160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).