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

C13H7Br3ClF — CID 63437855

IUPAC1,4-dibromo-2-[bromo-(2-chloro-4-fluorophenyl)methyl]benzene
SMILESFc1ccc(C(Br)c2cc(Br)ccc2Br)c(Cl)c1
InChIInChI=1S/C13H7Br3ClF/c14-7-1-4-11(15)10(5-7)13(16)9-3-2-8(18)6-12(9)17/h1-6,13H
InChIKeyWRDFGSHTRBKIBB-UHFFFAOYSA-N
MW457.36 g/mol
LogP6.49
Rot. Bonds2

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

1,4-dibromo-2-[bromo-(2-chloro-4-fluorophenyl)methyl]benzene (PubChem CID 63437855) has the molecular formula C13H7Br3ClF and a molecular weight of 457.36 g/mol. Its IUPAC name is 1,4-dibromo-2-[bromo-(2-chloro-4-fluorophenyl)methyl]benzene.

Molecular Properties

Compound Name1,4-dibromo-2-[bromo-(2-chloro-4-fluorophenyl)methyl]benzene
PubChem CID63437855
Molecular FormulaC13H7Br3ClF
Molecular Weight457.36 g/mol
Exact Mass453.78
IUPAC Name1,4-dibromo-2-[bromo-(2-chloro-4-fluorophenyl)methyl]benzene
SMILESFc1ccc(C(Br)c2cc(Br)ccc2Br)c(Cl)c1
InChIInChI=1S/C13H7Br3ClF/c14-7-1-4-11(15)10(5-7)13(16)9-3-2-8(18)6-12(9)17/h1-6,13H
InChIKeyWRDFGSHTRBKIBB-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.36
LogP ≤ 56.49
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-(4-fluorophenyl)methyl]benzene
CID 55198751
1-bromo-2-[bromo-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63442403
1-bromo-2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-fluorobenzene
CID 63435979
1-bromo-2-[bromo-(4-chlorophenyl)methyl]-4-fluorobenzene
CID 63437114
2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene
CID 81104395
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 63445029
2-[bromo-(2-chloro-4-fluorophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879876
1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2-chloro-4-fluorobenzene
CID 63427282
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65187535
1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
CID 115843665
(5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 43149035
1-[bromo-(5-bromo-2-chlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304119

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-[bromo-(2-chloro-4-fluorophenyl)methyl]benzene?
The IUPAC name of 1,4-dibromo-2-[bromo-(2-chloro-4-fluorophenyl)methyl]benzene (CID 63437855) is 1,4-dibromo-2-[bromo-(2-chloro-4-fluorophenyl)methyl]benzene.
What is the SMILES notation for 1,4-dibromo-2-[bromo-(2-chloro-4-fluorophenyl)methyl]benzene?
The canonical SMILES for 1,4-dibromo-2-[bromo-(2-chloro-4-fluorophenyl)methyl]benzene is Fc1ccc(C(Br)c2cc(Br)ccc2Br)c(Cl)c1.
What is the InChIKey of 1,4-dibromo-2-[bromo-(2-chloro-4-fluorophenyl)methyl]benzene?
The InChIKey is WRDFGSHTRBKIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br3ClF/c14-7-1-4-11(15)10(5-7)13(16)9-3-2-8(18)6-12(9)17/h1-6,13H.
What are the key properties of 1,4-dibromo-2-[bromo-(2-chloro-4-fluorophenyl)methyl]benzene?
1,4-dibromo-2-[bromo-(2-chloro-4-fluorophenyl)methyl]benzene has a molecular weight of 457.36 g/mol, XLogP of 6.49, 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-(2-chloro-4-fluorophenyl)methyl]benzene is sourced from PubChem (CID 63437855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).