1,4-dibromo-2-[bromo-(3-bromo-2-fluorophenyl)methyl]benzene

C13H7Br4F — CID 107958201

IUPAC1,4-dibromo-2-[bromo-(3-bromo-2-fluorophenyl)methyl]benzene
SMILESFc1c(Br)cccc1C(Br)c1cc(Br)ccc1Br
InChIInChI=1S/C13H7Br4F/c14-7-4-5-10(15)9(6-7)12(17)8-2-1-3-11(16)13(8)18/h1-6,12H
InChIKeyUBWNNLGMEQYSTQ-UHFFFAOYSA-N
MW501.81 g/mol
LogP6.60
Rot. Bonds2

About 1,4-dibromo-2-[bromo-(3-bromo-2-fluorophenyl)methyl]benzene

1,4-dibromo-2-[bromo-(3-bromo-2-fluorophenyl)methyl]benzene (PubChem CID 107958201) has the molecular formula C13H7Br4F and a molecular weight of 501.81 g/mol. Its IUPAC name is 1,4-dibromo-2-[bromo-(3-bromo-2-fluorophenyl)methyl]benzene.

Molecular Properties

Compound Name1,4-dibromo-2-[bromo-(3-bromo-2-fluorophenyl)methyl]benzene
PubChem CID107958201
Molecular FormulaC13H7Br4F
Molecular Weight501.81 g/mol
Exact Mass497.73
IUPAC Name1,4-dibromo-2-[bromo-(3-bromo-2-fluorophenyl)methyl]benzene
SMILESFc1c(Br)cccc1C(Br)c1cc(Br)ccc1Br
InChIInChI=1S/C13H7Br4F/c14-7-4-5-10(15)9(6-7)12(17)8-2-1-3-11(16)13(8)18/h1-6,12H
InChIKeyUBWNNLGMEQYSTQ-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.81
LogP ≤ 56.60
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-3-[bromo-(2,5-dimethylphenyl)methyl]-2-fluorobenzene
CID 107958460
(3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine
CID 107947115
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-chloro-2-methylphenyl)methyl]benzene
CID 107099130
1,4-dibromo-2-[bromo-(4-fluorophenyl)methyl]benzene
CID 55198751
1-(3-bromo-2-fluorophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 107954007
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol
CID 106644628
3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 114376051
1-bromo-2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-fluorobenzene
CID 63435979
1,4-dibromo-2-[bromo-(2-chloro-4-fluorophenyl)methyl]benzene
CID 63437855

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-[bromo-(3-bromo-2-fluorophenyl)methyl]benzene?
The IUPAC name of 1,4-dibromo-2-[bromo-(3-bromo-2-fluorophenyl)methyl]benzene (CID 107958201) is 1,4-dibromo-2-[bromo-(3-bromo-2-fluorophenyl)methyl]benzene.
What is the SMILES notation for 1,4-dibromo-2-[bromo-(3-bromo-2-fluorophenyl)methyl]benzene?
The canonical SMILES for 1,4-dibromo-2-[bromo-(3-bromo-2-fluorophenyl)methyl]benzene is Fc1c(Br)cccc1C(Br)c1cc(Br)ccc1Br.
What is the InChIKey of 1,4-dibromo-2-[bromo-(3-bromo-2-fluorophenyl)methyl]benzene?
The InChIKey is UBWNNLGMEQYSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br4F/c14-7-4-5-10(15)9(6-7)12(17)8-2-1-3-11(16)13(8)18/h1-6,12H.
What are the key properties of 1,4-dibromo-2-[bromo-(3-bromo-2-fluorophenyl)methyl]benzene?
1,4-dibromo-2-[bromo-(3-bromo-2-fluorophenyl)methyl]benzene has a molecular weight of 501.81 g/mol, XLogP of 6.60, 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-(3-bromo-2-fluorophenyl)methyl]benzene is sourced from PubChem (CID 107958201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).