4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene

C13H7BrCl3F — CID 107991747

IUPAC4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene
SMILESFc1cc(C(Br)c2ccc(Cl)c(Cl)c2)ccc1Cl
InChIInChI=1S/C13H7BrCl3F/c14-13(7-1-3-9(15)11(17)5-7)8-2-4-10(16)12(18)6-8/h1-6,13H
InChIKeyQWXBLQNGAOYJEB-UHFFFAOYSA-N
MW368.46 g/mol
LogP6.27
Rot. Bonds2

About 4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene

4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene (PubChem CID 107991747) has the molecular formula C13H7BrCl3F and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene
PubChem CID107991747
Molecular FormulaC13H7BrCl3F
Molecular Weight368.46 g/mol
Exact Mass365.88
IUPAC Name4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene
SMILESFc1cc(C(Br)c2ccc(Cl)c(Cl)c2)ccc1Cl
InChIInChI=1S/C13H7BrCl3F/c14-13(7-1-3-9(15)11(17)5-7)8-2-4-10(16)12(18)6-8/h1-6,13H
InChIKeyQWXBLQNGAOYJEB-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 56.27
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-(3,4-dichlorophenyl)methyl]-2-fluoro-1-methylbenzene
CID 55197637
4-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene
CID 63437327
(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
CID 107991698
1-[bromo-(3,4-dichlorophenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477662
6-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107991592
4-[bromo-(4-butan-2-ylphenyl)methyl]-1-chloro-2-fluorobenzene
CID 107991642
5-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran
CID 107991858
1-[bromo-(3,4-dichlorophenyl)methyl]-2,4-difluorobenzene
CID 63442364
1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107991696
3-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 107991664
2-bromo-5-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene
CID 107992049
2,5-dibromo-3-[bromo-(4-chloro-3-fluorophenyl)methyl]thiophene
CID 107991759

Frequently Asked Questions

What is the IUPAC name of 4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene?
The IUPAC name of 4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene (CID 107991747) is 4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene.
What is the SMILES notation for 4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene?
The canonical SMILES for 4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene is Fc1cc(C(Br)c2ccc(Cl)c(Cl)c2)ccc1Cl.
What is the InChIKey of 4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene?
The InChIKey is QWXBLQNGAOYJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl3F/c14-13(7-1-3-9(15)11(17)5-7)8-2-4-10(16)12(18)6-8/h1-6,13H.
What are the key properties of 4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene?
4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene has a molecular weight of 368.46 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene is sourced from PubChem (CID 107991747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).