1-bromo-3-[bromo-(2,5-dimethylphenyl)methyl]-2-fluorobenzene

C15H13Br2F — CID 107958460

IUPAC1-bromo-3-[bromo-(2,5-dimethylphenyl)methyl]-2-fluorobenzene
SMILESCc1ccc(C)c(C(Br)c2cccc(Br)c2F)c1
InChIInChI=1S/C15H13Br2F/c1-9-6-7-10(2)12(8-9)14(17)11-4-3-5-13(16)15(11)18/h3-8,14H,1-2H3
InChIKeyMLGIPKKQBPTDTB-UHFFFAOYSA-N
MW372.08 g/mol
LogP5.69
Rot. Bonds2

About 1-bromo-3-[bromo-(2,5-dimethylphenyl)methyl]-2-fluorobenzene

1-bromo-3-[bromo-(2,5-dimethylphenyl)methyl]-2-fluorobenzene (PubChem CID 107958460) has the molecular formula C15H13Br2F and a molecular weight of 372.08 g/mol. Its IUPAC name is 1-bromo-3-[bromo-(2,5-dimethylphenyl)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-[bromo-(2,5-dimethylphenyl)methyl]-2-fluorobenzene
PubChem CID107958460
Molecular FormulaC15H13Br2F
Molecular Weight372.08 g/mol
Exact Mass369.94
IUPAC Name1-bromo-3-[bromo-(2,5-dimethylphenyl)methyl]-2-fluorobenzene
SMILESCc1ccc(C)c(C(Br)c2cccc(Br)c2F)c1
InChIInChI=1S/C15H13Br2F/c1-9-6-7-10(2)12(8-9)14(17)11-4-3-5-13(16)15(11)18/h3-8,14H,1-2H3
InChIKeyMLGIPKKQBPTDTB-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-4-[bromo-(3-bromo-2-fluorophenyl)methyl]-2,5-dimethylbenzene
CID 107958908
1-[bromo-(2,5-dimethylphenyl)methyl]-2,3-dimethylbenzene
CID 63442341
1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene
CID 63441756
(3-bromo-2-fluorophenyl)-(2-bromo-4-methylphenyl)methanol
CID 106644538
3-[bromo-(3-bromo-2-fluorophenyl)methyl]-2,5-dimethylthiophene
CID 107958748
(3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine
CID 106647803
1,4-dibromo-2-[bromo-(3-bromo-2-fluorophenyl)methyl]benzene
CID 107958201
(3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 107955673
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
(3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol
CID 106644550
(2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81478085
N-[(3-bromo-2-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 106647623

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[bromo-(2,5-dimethylphenyl)methyl]-2-fluorobenzene?
The IUPAC name of 1-bromo-3-[bromo-(2,5-dimethylphenyl)methyl]-2-fluorobenzene (CID 107958460) is 1-bromo-3-[bromo-(2,5-dimethylphenyl)methyl]-2-fluorobenzene.
What is the SMILES notation for 1-bromo-3-[bromo-(2,5-dimethylphenyl)methyl]-2-fluorobenzene?
The canonical SMILES for 1-bromo-3-[bromo-(2,5-dimethylphenyl)methyl]-2-fluorobenzene is Cc1ccc(C)c(C(Br)c2cccc(Br)c2F)c1.
What is the InChIKey of 1-bromo-3-[bromo-(2,5-dimethylphenyl)methyl]-2-fluorobenzene?
The InChIKey is MLGIPKKQBPTDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2F/c1-9-6-7-10(2)12(8-9)14(17)11-4-3-5-13(16)15(11)18/h3-8,14H,1-2H3.
What are the key properties of 1-bromo-3-[bromo-(2,5-dimethylphenyl)methyl]-2-fluorobenzene?
1-bromo-3-[bromo-(2,5-dimethylphenyl)methyl]-2-fluorobenzene 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-3-[bromo-(2,5-dimethylphenyl)methyl]-2-fluorobenzene is sourced from PubChem (CID 107958460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).