4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene

C13H8BrCl2F — CID 55199444

IUPAC4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene
SMILESFc1cc(Br)ccc1C(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C13H8BrCl2F/c14-9-3-6-11(12(17)7-9)13(16)8-1-4-10(15)5-2-8/h1-7,13H
InChIKeyVIWQUQSTZWNJCS-UHFFFAOYSA-N
MW334.02 g/mol
LogP5.57
Rot. Bonds2

About 4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene

4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene (PubChem CID 55199444) has the molecular formula C13H8BrCl2F and a molecular weight of 334.02 g/mol. Its IUPAC name is 4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene
PubChem CID55199444
Molecular FormulaC13H8BrCl2F
Molecular Weight334.02 g/mol
Exact Mass331.92
IUPAC Name4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene
SMILESFc1cc(Br)ccc1C(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C13H8BrCl2F/c14-9-3-6-11(12(17)7-9)13(16)8-1-4-10(15)5-2-8/h1-7,13H
InChIKeyVIWQUQSTZWNJCS-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.02
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-bromo-1-[chloro-(4-chlorophenyl)methyl]-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

Related Compounds

2,4-dibromo-1-[chloro-(4-chlorophenyl)methyl]benzene
CID 107955847
4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 63437201
4-bromo-1-[(4-tert-butylphenyl)-chloromethyl]-2-fluorobenzene
CID 63431865
1-bromo-4-[(S)-chloro-(4-chlorophenyl)methyl]benzene
CID 94201521
1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63429159
4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene
CID 55198108
4-bromo-1-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-2-fluorobenzene
CID 66257841
4-bromo-1-[bromo-(4-bromophenyl)methyl]-2-fluorobenzene
CID 63438984
4-bromo-1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-2-fluorobenzene
CID 63429439
(4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 61101398
2-bromo-4-chloro-1-[chloro-(4-fluorophenyl)methyl]benzene
CID 107991413
1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene
CID 63436858

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene?
The IUPAC name of 4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene (CID 55199444) is 4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene is Fc1cc(Br)ccc1C(Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene?
The InChIKey is VIWQUQSTZWNJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2F/c14-9-3-6-11(12(17)7-9)13(16)8-1-4-10(15)5-2-8/h1-7,13H.
What are the key properties of 4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene?
4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene has a molecular weight of 334.02 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene is sourced from PubChem (CID 55199444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).