4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene

C15H13Br2F — CID 79747238

IUPAC4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene
SMILESCc1cc(C(Br)c2ccc(Br)cc2C)ccc1F
InChIInChI=1S/C15H13Br2F/c1-9-8-12(16)4-5-13(9)15(17)11-3-6-14(18)10(2)7-11/h3-8,15H,1-2H3
InChIKeyJOJJJWJYXQPLPS-UHFFFAOYSA-N
MW372.08 g/mol
LogP5.69
Rot. Bonds2

About 4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene

4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene (PubChem CID 79747238) has the molecular formula C15H13Br2F and a molecular weight of 372.08 g/mol. Its IUPAC name is 4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene.

Molecular Properties

Compound Name4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene
PubChem CID79747238
Molecular FormulaC15H13Br2F
Molecular Weight372.08 g/mol
Exact Mass369.94
IUPAC Name4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene
SMILESCc1cc(C(Br)c2ccc(Br)cc2C)ccc1F
InChIInChI=1S/C15H13Br2F/c1-9-8-12(16)4-5-13(9)15(17)11-3-6-14(18)10(2)7-11/h3-8,15H,1-2H3
InChIKeyJOJJJWJYXQPLPS-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.08
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene 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-[bromo-(4-fluoro-3-methylphenyl)methyl]-4-chloro-2-methylbenzene
CID 114028122
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2,4-dimethylbenzene
CID 55199902
4-[bromo-(3-bromophenyl)methyl]-1-fluoro-2-methylbenzene
CID 79746903
1-[bromo-(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 55197419
4-bromo-1-fluoro-2-methylbenzene;4-bromo-2-fluoro-1-methylbenzene
CID 160825147
2-bromo-6-[bromo-(2,4-dimethylphenyl)methyl]naphthalene
CID 115354342
4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene
CID 63436054
4-bromo-1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-methylbenzene
CID 63439369
4-bromo-1-[bromo-(4-bromophenyl)methyl]-2-fluorobenzene
CID 63438984
4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 63437201
2-bromo-4-[bromo-(4-fluoro-3-methylphenyl)methyl]-1-chlorobenzene
CID 114024957
2-bromo-5-[bromo-(4-fluoro-3-methylphenyl)methyl]furan
CID 79746986

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene?
The IUPAC name of 4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene (CID 79747238) is 4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene.
What is the SMILES notation for 4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene?
The canonical SMILES for 4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene is Cc1cc(C(Br)c2ccc(Br)cc2C)ccc1F.
What is the InChIKey of 4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene?
The InChIKey is JOJJJWJYXQPLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2F/c1-9-8-12(16)4-5-13(9)15(17)11-3-6-14(18)10(2)7-11/h3-8,15H,1-2H3.
What are the key properties of 4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene?
4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene has a molecular weight of 372.08 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene is sourced from PubChem (CID 79747238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).