1,4-dibromo-2-[bromo-(4-bromo-2-fluorophenyl)methyl]-5-methylbenzene

C14H9Br4F — CID 81474119

IUPAC1,4-dibromo-2-[bromo-(4-bromo-2-fluorophenyl)methyl]-5-methylbenzene
SMILESCc1cc(Br)c(C(Br)c2ccc(Br)cc2F)cc1Br
InChIInChI=1S/C14H9Br4F/c1-7-4-12(17)10(6-11(7)16)14(18)9-3-2-8(15)5-13(9)19/h2-6,14H,1H3
InChIKeyJJAYVWNYZVXGJW-UHFFFAOYSA-N
MW515.84 g/mol
LogP6.91
Rot. Bonds2

About 1,4-dibromo-2-[bromo-(4-bromo-2-fluorophenyl)methyl]-5-methylbenzene

1,4-dibromo-2-[bromo-(4-bromo-2-fluorophenyl)methyl]-5-methylbenzene (PubChem CID 81474119) has the molecular formula C14H9Br4F and a molecular weight of 515.84 g/mol. Its IUPAC name is 1,4-dibromo-2-[bromo-(4-bromo-2-fluorophenyl)methyl]-5-methylbenzene.

Molecular Properties

Compound Name1,4-dibromo-2-[bromo-(4-bromo-2-fluorophenyl)methyl]-5-methylbenzene
PubChem CID81474119
Molecular FormulaC14H9Br4F
Molecular Weight515.84 g/mol
Exact Mass511.74
IUPAC Name1,4-dibromo-2-[bromo-(4-bromo-2-fluorophenyl)methyl]-5-methylbenzene
SMILESCc1cc(Br)c(C(Br)c2ccc(Br)cc2F)cc1Br
InChIInChI=1S/C14H9Br4F/c1-7-4-12(17)10(6-11(7)16)14(18)9-3-2-8(15)5-13(9)19/h2-6,14H,1H3
InChIKeyJJAYVWNYZVXGJW-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.84
LogP ≤ 56.91
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

1,4-dibromo-2-[bromo-(2-fluoro-4-methylphenyl)methyl]-5-methylbenzene
CID 81470622
1,4-dibromo-2-[bromo-(4-bromo-2,6-difluorophenyl)methyl]-5-methylbenzene
CID 81470322
1,4-dibromo-2-[bromo-(2,4-dichlorophenyl)methyl]-5-methylbenzene
CID 81474218
1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65434153
1,4-dibromo-2-[bromo-(3-bromophenyl)methyl]-5-methylbenzene
CID 81470930
3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-methylthiophene
CID 102835926
4-bromo-1-[bromo-(4-bromophenyl)methyl]-2-fluorobenzene
CID 63438984
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
5-[bromo-(2,4-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 107958952
1,4-dibromo-2-[bromo-(3-bromo-5-chlorophenyl)methyl]-5-methylbenzene
CID 114020889
1-bromo-2-[bromo-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63442403
2,5-dibromo-3-[bromo-(4-bromo-2-fluorophenyl)methyl]thiophene
CID 63442594

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-[bromo-(4-bromo-2-fluorophenyl)methyl]-5-methylbenzene?
The IUPAC name of 1,4-dibromo-2-[bromo-(4-bromo-2-fluorophenyl)methyl]-5-methylbenzene (CID 81474119) is 1,4-dibromo-2-[bromo-(4-bromo-2-fluorophenyl)methyl]-5-methylbenzene.
What is the SMILES notation for 1,4-dibromo-2-[bromo-(4-bromo-2-fluorophenyl)methyl]-5-methylbenzene?
The canonical SMILES for 1,4-dibromo-2-[bromo-(4-bromo-2-fluorophenyl)methyl]-5-methylbenzene is Cc1cc(Br)c(C(Br)c2ccc(Br)cc2F)cc1Br.
What is the InChIKey of 1,4-dibromo-2-[bromo-(4-bromo-2-fluorophenyl)methyl]-5-methylbenzene?
The InChIKey is JJAYVWNYZVXGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br4F/c1-7-4-12(17)10(6-11(7)16)14(18)9-3-2-8(15)5-13(9)19/h2-6,14H,1H3.
What are the key properties of 1,4-dibromo-2-[bromo-(4-bromo-2-fluorophenyl)methyl]-5-methylbenzene?
1,4-dibromo-2-[bromo-(4-bromo-2-fluorophenyl)methyl]-5-methylbenzene has a molecular weight of 515.84 g/mol, XLogP of 6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-[bromo-(4-bromo-2-fluorophenyl)methyl]-5-methylbenzene is sourced from PubChem (CID 81474119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).