2-bromo-4-[bromo-(4-fluorophenyl)methyl]-1-chlorobenzene

C13H8Br2ClF — CID 107991605

IUPAC2-bromo-4-[bromo-(4-fluorophenyl)methyl]-1-chlorobenzene
SMILESFc1ccc(C(Br)c2ccc(Cl)c(Br)c2)cc1
InChIInChI=1S/C13H8Br2ClF/c14-11-7-9(3-6-12(11)16)13(15)8-1-4-10(17)5-2-8/h1-7,13H
InChIKeyRXGKSOPXTMUHQQ-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.73
Rot. Bonds2

About 2-bromo-4-[bromo-(4-fluorophenyl)methyl]-1-chlorobenzene

2-bromo-4-[bromo-(4-fluorophenyl)methyl]-1-chlorobenzene (PubChem CID 107991605) has the molecular formula C13H8Br2ClF and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-bromo-4-[bromo-(4-fluorophenyl)methyl]-1-chlorobenzene.

Molecular Properties

Compound Name2-bromo-4-[bromo-(4-fluorophenyl)methyl]-1-chlorobenzene
PubChem CID107991605
Molecular FormulaC13H8Br2ClF
Molecular Weight378.47 g/mol
Exact Mass375.87
IUPAC Name2-bromo-4-[bromo-(4-fluorophenyl)methyl]-1-chlorobenzene
SMILESFc1ccc(C(Br)c2ccc(Cl)c(Br)c2)cc1
InChIInChI=1S/C13H8Br2ClF/c14-11-7-9(3-6-12(11)16)13(15)8-1-4-10(17)5-2-8/h1-7,13H
InChIKeyRXGKSOPXTMUHQQ-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.73
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

4-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene
CID 63437327
2-bromo-4-[bromo(phenyl)methyl]-1-chlorobenzene
CID 107991611
2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-chlorobenzene
CID 107991616
2-bromo-4-[bromo-(4-fluoro-3-methylphenyl)methyl]-1-chlorobenzene
CID 114024957
(3-bromo-4-chlorophenyl)-(4-fluorophenyl)methanol
CID 115566397
2-bromo-4-[bromo-[4-(2-methylpropyl)phenyl]methyl]-1-chlorobenzene
CID 107991588
4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene
CID 107991747
2-bromo-4-[bromo-(2,5-dimethylphenyl)methyl]-1-chlorobenzene
CID 107991658
1,4-dibromo-2-[bromo-(4-fluorophenyl)methyl]benzene
CID 55198751
1-bromo-4-[bromo-(4-propan-2-ylphenyl)methyl]-2-chlorobenzene
CID 81307063
1-bromo-2-[bromo-(4-chlorophenyl)methyl]-4-fluorobenzene
CID 63437114
[(3-bromo-4-chlorophenyl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105260967

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[bromo-(4-fluorophenyl)methyl]-1-chlorobenzene?
The IUPAC name of 2-bromo-4-[bromo-(4-fluorophenyl)methyl]-1-chlorobenzene (CID 107991605) is 2-bromo-4-[bromo-(4-fluorophenyl)methyl]-1-chlorobenzene.
What is the SMILES notation for 2-bromo-4-[bromo-(4-fluorophenyl)methyl]-1-chlorobenzene?
The canonical SMILES for 2-bromo-4-[bromo-(4-fluorophenyl)methyl]-1-chlorobenzene is Fc1ccc(C(Br)c2ccc(Cl)c(Br)c2)cc1.
What is the InChIKey of 2-bromo-4-[bromo-(4-fluorophenyl)methyl]-1-chlorobenzene?
The InChIKey is RXGKSOPXTMUHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2ClF/c14-11-7-9(3-6-12(11)16)13(15)8-1-4-10(17)5-2-8/h1-7,13H.
What are the key properties of 2-bromo-4-[bromo-(4-fluorophenyl)methyl]-1-chlorobenzene?
2-bromo-4-[bromo-(4-fluorophenyl)methyl]-1-chlorobenzene has a molecular weight of 378.47 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[bromo-(4-fluorophenyl)methyl]-1-chlorobenzene is sourced from PubChem (CID 107991605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).