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

C14H9BrCl3F — CID 63444214

IUPAC1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-2,4-dichlorobenzene
SMILESFc1cccc(Cl)c1CC(Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9BrCl3F/c15-11(9-5-4-8(16)6-13(9)18)7-10-12(17)2-1-3-14(10)19/h1-6,11H,7H2
InChIKeyRTZIXLVNOOETRZ-UHFFFAOYSA-N
MW382.49 g/mol
LogP6.46
Rot. Bonds3

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

1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-2,4-dichlorobenzene (PubChem CID 63444214) has the molecular formula C14H9BrCl3F and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-2,4-dichlorobenzene
PubChem CID63444214
Molecular FormulaC14H9BrCl3F
Molecular Weight382.49 g/mol
Exact Mass379.89
IUPAC Name1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-2,4-dichlorobenzene
SMILESFc1cccc(Cl)c1CC(Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9BrCl3F/c15-11(9-5-4-8(16)6-13(9)18)7-10-12(17)2-1-3-14(10)19/h1-6,11H,7H2
InChIKeyRTZIXLVNOOETRZ-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.49
LogP ≤ 56.46
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

2-bromo-1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene
CID 63518826
2-[2-bromo-2-(4-fluoro-3-methylphenyl)ethyl]-1-chloro-3-fluorobenzene
CID 63517979
2-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene
CID 63436939
2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1-fluoro-3-methoxybenzene
CID 65433500
2-[2-bromo-2-(2-ethoxyphenyl)ethyl]-1-chloro-3-fluorobenzene
CID 63518829
1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2,4-dichlorobenzene
CID 63443899
2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-chlorofuran
CID 106689728
2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene
CID 64720594
2-(2-chloro-6-fluorophenyl)-1-(3-chlorophenyl)ethanol
CID 61495863
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 82891487
2-bromo-1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene
CID 55225389
2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-methylthiophene
CID 63435833

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-2,4-dichlorobenzene?
The IUPAC name of 1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-2,4-dichlorobenzene (CID 63444214) is 1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-2,4-dichlorobenzene.
What is the SMILES notation for 1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-2,4-dichlorobenzene?
The canonical SMILES for 1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-2,4-dichlorobenzene is Fc1cccc(Cl)c1CC(Br)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-2,4-dichlorobenzene?
The InChIKey is RTZIXLVNOOETRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl3F/c15-11(9-5-4-8(16)6-13(9)18)7-10-12(17)2-1-3-14(10)19/h1-6,11H,7H2.
What are the key properties of 1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-2,4-dichlorobenzene?
1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-2,4-dichlorobenzene has a molecular weight of 382.49 g/mol, XLogP of 6.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-2,4-dichlorobenzene is sourced from PubChem (CID 63444214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).