3-(bromomethyl)-1-chloro-2,4-difluorobenzene

C7H4BrClF2 — CID 2773550

IUPAC3-(bromomethyl)-1-chloro-2,4-difluorobenzene
SMILESFc1ccc(Cl)c(F)c1CBr
InChIInChI=1S/C7H4BrClF2/c8-3-4-6(10)2-1-5(9)7(4)11/h1-2H,3H2
InChIKeySNOJSRMVFAKBEG-UHFFFAOYSA-N
MW241.46 g/mol
LogP3.51
Rot. Bonds1

About 3-(bromomethyl)-1-chloro-2,4-difluorobenzene

3-(bromomethyl)-1-chloro-2,4-difluorobenzene (PubChem CID 2773550) has the molecular formula C7H4BrClF2 and a molecular weight of 241.46 g/mol. Its IUPAC name is 3-(bromomethyl)-1-chloro-2,4-difluorobenzene.

Molecular Properties

Compound Name3-(bromomethyl)-1-chloro-2,4-difluorobenzene
PubChem CID2773550
Molecular FormulaC7H4BrClF2
Molecular Weight241.46 g/mol
Exact Mass239.92
IUPAC Name3-(bromomethyl)-1-chloro-2,4-difluorobenzene
SMILESFc1ccc(Cl)c(F)c1CBr
InChIInChI=1S/C7H4BrClF2/c8-3-4-6(10)2-1-5(9)7(4)11/h1-2H,3H2
InChIKeySNOJSRMVFAKBEG-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 3-(bromomethyl)-1-chloro-2,4-difluorobenzene 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 3-(bromomethyl)-1-chloro-2,4-difluorobenzene?
The IUPAC name of 3-(bromomethyl)-1-chloro-2,4-difluorobenzene (CID 2773550) is 3-(bromomethyl)-1-chloro-2,4-difluorobenzene.
What is the SMILES notation for 3-(bromomethyl)-1-chloro-2,4-difluorobenzene?
The canonical SMILES for 3-(bromomethyl)-1-chloro-2,4-difluorobenzene is Fc1ccc(Cl)c(F)c1CBr.
What is the InChIKey of 3-(bromomethyl)-1-chloro-2,4-difluorobenzene?
The InChIKey is SNOJSRMVFAKBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2/c8-3-4-6(10)2-1-5(9)7(4)11/h1-2H,3H2.
What are the key properties of 3-(bromomethyl)-1-chloro-2,4-difluorobenzene?
3-(bromomethyl)-1-chloro-2,4-difluorobenzene has a molecular weight of 241.46 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-chloro-2,4-difluorobenzene is sourced from PubChem (CID 2773550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).