1-bromo-2-[1-bromo-2-(2,4-difluorophenyl)ethyl]-4-methylbenzene

C15H12Br2F2 — CID 81116933

IUPAC1-bromo-2-[1-bromo-2-(2,4-difluorophenyl)ethyl]-4-methylbenzene
SMILESCc1ccc(Br)c(C(Br)Cc2ccc(F)cc2F)c1
InChIInChI=1S/C15H12Br2F2/c1-9-2-5-13(16)12(6-9)14(17)7-10-3-4-11(18)8-15(10)19/h2-6,8,14H,7H2,1H3
InChIKeyAKQQUUHZNUJRBS-UHFFFAOYSA-N
MW390.07 g/mol
LogP5.71
Rot. Bonds3

About 1-bromo-2-[1-bromo-2-(2,4-difluorophenyl)ethyl]-4-methylbenzene

1-bromo-2-[1-bromo-2-(2,4-difluorophenyl)ethyl]-4-methylbenzene (PubChem CID 81116933) has the molecular formula C15H12Br2F2 and a molecular weight of 390.07 g/mol. Its IUPAC name is 1-bromo-2-[1-bromo-2-(2,4-difluorophenyl)ethyl]-4-methylbenzene.

Molecular Properties

Compound Name1-bromo-2-[1-bromo-2-(2,4-difluorophenyl)ethyl]-4-methylbenzene
PubChem CID81116933
Molecular FormulaC15H12Br2F2
Molecular Weight390.07 g/mol
Exact Mass387.93
IUPAC Name1-bromo-2-[1-bromo-2-(2,4-difluorophenyl)ethyl]-4-methylbenzene
SMILESCc1ccc(Br)c(C(Br)Cc2ccc(F)cc2F)c1
InChIInChI=1S/C15H12Br2F2/c1-9-2-5-13(16)12(6-9)14(17)7-10-3-4-11(18)8-15(10)19/h2-6,8,14H,7H2,1H3
InChIKeyAKQQUUHZNUJRBS-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.07
LogP ≤ 55.71
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-(2-bromo-5-methylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 81111888
1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2,4-difluorobenzene
CID 55219697
1-[2-bromo-2-(4-bromo-2-methoxyphenyl)ethyl]-2,4-difluorobenzene
CID 115370122
2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine
CID 115843072
1-[2-bromo-2-(2-bromo-5-methylphenyl)ethyl]naphthalene
CID 81116817
2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 115843576
1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene
CID 63441756
1-[2-bromo-2-(3-chloro-2-fluorophenyl)ethyl]-2,4-difluorobenzene
CID 81263225
5-[1-bromo-2-(2,4-difluorophenyl)ethyl]-2-methoxy-1,3-dimethylbenzene
CID 83044581
(2-bromo-5-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 81111399
3-bromo-5-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-methylthiophene
CID 102835341
1-[bromo-(2-bromo-5-methylphenyl)methyl]-2,4,5-trifluorobenzene
CID 103304191

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[1-bromo-2-(2,4-difluorophenyl)ethyl]-4-methylbenzene?
The IUPAC name of 1-bromo-2-[1-bromo-2-(2,4-difluorophenyl)ethyl]-4-methylbenzene (CID 81116933) is 1-bromo-2-[1-bromo-2-(2,4-difluorophenyl)ethyl]-4-methylbenzene.
What is the SMILES notation for 1-bromo-2-[1-bromo-2-(2,4-difluorophenyl)ethyl]-4-methylbenzene?
The canonical SMILES for 1-bromo-2-[1-bromo-2-(2,4-difluorophenyl)ethyl]-4-methylbenzene is Cc1ccc(Br)c(C(Br)Cc2ccc(F)cc2F)c1.
What is the InChIKey of 1-bromo-2-[1-bromo-2-(2,4-difluorophenyl)ethyl]-4-methylbenzene?
The InChIKey is AKQQUUHZNUJRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2F2/c1-9-2-5-13(16)12(6-9)14(17)7-10-3-4-11(18)8-15(10)19/h2-6,8,14H,7H2,1H3.
What are the key properties of 1-bromo-2-[1-bromo-2-(2,4-difluorophenyl)ethyl]-4-methylbenzene?
1-bromo-2-[1-bromo-2-(2,4-difluorophenyl)ethyl]-4-methylbenzene has a molecular weight of 390.07 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[1-bromo-2-(2,4-difluorophenyl)ethyl]-4-methylbenzene is sourced from PubChem (CID 81116933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).