1-[bromo-(2-bromo-4-fluorophenyl)methyl]-2,4-dimethylbenzene

C15H13Br2F — CID 63438862

IUPAC1-[bromo-(2-bromo-4-fluorophenyl)methyl]-2,4-dimethylbenzene
SMILESCc1ccc(C(Br)c2ccc(F)cc2Br)c(C)c1
InChIInChI=1S/C15H13Br2F/c1-9-3-5-12(10(2)7-9)15(17)13-6-4-11(18)8-14(13)16/h3-8,15H,1-2H3
InChIKeyWTQONHXCPYIBML-UHFFFAOYSA-N
MW372.08 g/mol
LogP5.69
Rot. Bonds2

About 1-[bromo-(2-bromo-4-fluorophenyl)methyl]-2,4-dimethylbenzene

1-[bromo-(2-bromo-4-fluorophenyl)methyl]-2,4-dimethylbenzene (PubChem CID 63438862) has the molecular formula C15H13Br2F and a molecular weight of 372.08 g/mol. Its IUPAC name is 1-[bromo-(2-bromo-4-fluorophenyl)methyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[bromo-(2-bromo-4-fluorophenyl)methyl]-2,4-dimethylbenzene
PubChem CID63438862
Molecular FormulaC15H13Br2F
Molecular Weight372.08 g/mol
Exact Mass369.94
IUPAC Name1-[bromo-(2-bromo-4-fluorophenyl)methyl]-2,4-dimethylbenzene
SMILESCc1ccc(C(Br)c2ccc(F)cc2Br)c(C)c1
InChIInChI=1S/C15H13Br2F/c1-9-3-5-12(10(2)7-9)15(17)13-6-4-11(18)8-14(13)16/h3-8,15H,1-2H3
InChIKeyWTQONHXCPYIBML-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'}

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Related Compounds

1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene
CID 63441756
2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol
CID 65148185
1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene
CID 79590884
1,4-dibromo-2-[bromo-(2-fluoro-4-methylphenyl)methyl]-5-methylbenzene
CID 81470622
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2,4-dimethylbenzene
CID 55199902
1-[bromo-(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 55197419
1-[bromo-(2,5-dichlorophenyl)methyl]-4-fluoro-2-methylbenzene
CID 113400098
2-bromo-1-[bromo-(4-tert-butylphenyl)methyl]-4-fluorobenzene
CID 63440057
[(2-bromo-4-fluorophenyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105302771
2-bromo-1-[1-bromo-2-(3-methylphenyl)ethyl]-4-fluorobenzene
CID 63531593
(2,4-dibromophenyl)-(2,4-dimethylphenyl)methanol
CID 107947470
2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethylphenyl)-N-ethylethanamine
CID 115843807

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2-bromo-4-fluorophenyl)methyl]-2,4-dimethylbenzene?
The IUPAC name of 1-[bromo-(2-bromo-4-fluorophenyl)methyl]-2,4-dimethylbenzene (CID 63438862) is 1-[bromo-(2-bromo-4-fluorophenyl)methyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[bromo-(2-bromo-4-fluorophenyl)methyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-[bromo-(2-bromo-4-fluorophenyl)methyl]-2,4-dimethylbenzene is Cc1ccc(C(Br)c2ccc(F)cc2Br)c(C)c1.
What is the InChIKey of 1-[bromo-(2-bromo-4-fluorophenyl)methyl]-2,4-dimethylbenzene?
The InChIKey is WTQONHXCPYIBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2F/c1-9-3-5-12(10(2)7-9)15(17)13-6-4-11(18)8-14(13)16/h3-8,15H,1-2H3.
What are the key properties of 1-[bromo-(2-bromo-4-fluorophenyl)methyl]-2,4-dimethylbenzene?
1-[bromo-(2-bromo-4-fluorophenyl)methyl]-2,4-dimethylbenzene 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 1-[bromo-(2-bromo-4-fluorophenyl)methyl]-2,4-dimethylbenzene is sourced from PubChem (CID 63438862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).