1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2,4-dichlorobenzene

C13H7BrCl3F — CID 63443899

IUPAC1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2,4-dichlorobenzene
SMILESFc1cccc(Cl)c1C(Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7BrCl3F/c14-13(8-5-4-7(15)6-10(8)17)12-9(16)2-1-3-11(12)18/h1-6,13H
InChIKeyCLGSNAOEJUZTPN-UHFFFAOYSA-N
MW368.46 g/mol
LogP6.27
Rot. Bonds2

About 1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2,4-dichlorobenzene

1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2,4-dichlorobenzene (PubChem CID 63443899) has the molecular formula C13H7BrCl3F and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2,4-dichlorobenzene
PubChem CID63443899
Molecular FormulaC13H7BrCl3F
Molecular Weight368.46 g/mol
Exact Mass365.88
IUPAC Name1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2,4-dichlorobenzene
SMILESFc1cccc(Cl)c1C(Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7BrCl3F/c14-13(8-5-4-7(15)6-10(8)17)12-9(16)2-1-3-11(12)18/h1-6,13H
InChIKeyCLGSNAOEJUZTPN-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

1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 115484950
(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methanol
CID 61271392
2,4-dichloro-1-[chloro-(2,6-difluorophenyl)methyl]benzene
CID 55199949
2-[bromo-(4-fluoro-3-methylphenyl)methyl]-1-chloro-3-fluorobenzene
CID 79747491
1-[bromo-(2,4-dichlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304158
1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-2,4-dichlorobenzene
CID 63444214
N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63501905
2-[bromo-(2,5-dichlorophenyl)methyl]-1-fluoro-3-methoxybenzene
CID 65432324
1-bromo-4-[bromo-(2,4-dichlorophenyl)methyl]-2-chloro-5-fluorobenzene
CID 105400009
(5-bromo-2-fluorophenyl)-(2-chloro-6-fluorophenyl)methanol
CID 79743340
1-[bromo-(2-iodophenyl)methyl]-2,4-dichlorobenzene
CID 63444485
6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439442

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2,4-dichlorobenzene?
The IUPAC name of 1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2,4-dichlorobenzene (CID 63443899) is 1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2,4-dichlorobenzene.
What is the SMILES notation for 1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2,4-dichlorobenzene?
The canonical SMILES for 1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2,4-dichlorobenzene is Fc1cccc(Cl)c1C(Br)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2,4-dichlorobenzene?
The InChIKey is CLGSNAOEJUZTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl3F/c14-13(8-5-4-7(15)6-10(8)17)12-9(16)2-1-3-11(12)18/h1-6,13H.
What are the key properties of 1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2,4-dichlorobenzene?
1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2,4-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 1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2,4-dichlorobenzene is sourced from PubChem (CID 63443899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).