5-[bromo-(2,4-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene

C15H12Br3F — CID 107958952

IUPAC5-[bromo-(2,4-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
SMILESCc1cc(C(Br)c2ccc(Br)cc2Br)cc(C)c1F
InChIInChI=1S/C15H12Br3F/c1-8-5-10(6-9(2)15(8)19)14(18)12-4-3-11(16)7-13(12)17/h3-7,14H,1-2H3
InChIKeyQPZMCNPDZIKZRB-UHFFFAOYSA-N
MW450.97 g/mol
LogP6.45
Rot. Bonds2

About 5-[bromo-(2,4-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene

5-[bromo-(2,4-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene (PubChem CID 107958952) has the molecular formula C15H12Br3F and a molecular weight of 450.97 g/mol. Its IUPAC name is 5-[bromo-(2,4-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-[bromo-(2,4-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
PubChem CID107958952
Molecular FormulaC15H12Br3F
Molecular Weight450.97 g/mol
Exact Mass447.85
IUPAC Name5-[bromo-(2,4-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
SMILESCc1cc(C(Br)c2ccc(Br)cc2Br)cc(C)c1F
InChIInChI=1S/C15H12Br3F/c1-8-5-10(6-9(2)15(8)19)14(18)12-4-3-11(16)7-13(12)17/h3-7,14H,1-2H3
InChIKeyQPZMCNPDZIKZRB-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.97
LogP ≤ 56.45
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

2,4-dibromo-1-[bromo-(4-bromophenyl)methyl]benzene
CID 107957822
5-[bromo-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65297158
5-[bromo-[2-(trifluoromethyl)phenyl]methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296857
4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene
CID 79747238
1,4-dibromo-2-[bromo-(4-bromo-2-fluorophenyl)methyl]-5-methylbenzene
CID 81474119
5-[bromo-(2-bromo-4-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83068657
2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene
CID 107958215
5-[bromo-(2,5-dimethoxyphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296664
1,4-dibromo-2-[bromo-(3,5-dimethylphenyl)methyl]benzene
CID 63437775
4-bromo-1-[bromo-(4-bromophenyl)methyl]-2-fluorobenzene
CID 63438984
1-[bromo-(2-bromo-4-fluorophenyl)methyl]-2,4-dimethylbenzene
CID 63438862
2,4-dibromo-1-[bromo-(2-ethoxy-5-methylphenyl)methyl]benzene
CID 107958857

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(2,4-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene?
The IUPAC name of 5-[bromo-(2,4-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene (CID 107958952) is 5-[bromo-(2,4-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene.
What is the SMILES notation for 5-[bromo-(2,4-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene?
The canonical SMILES for 5-[bromo-(2,4-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene is Cc1cc(C(Br)c2ccc(Br)cc2Br)cc(C)c1F.
What is the InChIKey of 5-[bromo-(2,4-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene?
The InChIKey is QPZMCNPDZIKZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br3F/c1-8-5-10(6-9(2)15(8)19)14(18)12-4-3-11(16)7-13(12)17/h3-7,14H,1-2H3.
What are the key properties of 5-[bromo-(2,4-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene?
5-[bromo-(2,4-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene has a molecular weight of 450.97 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(2,4-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene is sourced from PubChem (CID 107958952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).