1-chloro-4-[2,2,2-tribromo-1-(4-chlorophenyl)ethyl]benzene

C14H9Br3Cl2 — CID 20426

IUPAC1-chloro-4-[2,2,2-tribromo-1-(4-chlorophenyl)ethyl]benzene
SMILESClc1ccc(C(c2ccc(Cl)cc2)C(Br)(Br)Br)cc1
InChIInChI=1S/C14H9Br3Cl2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13H
InChIKeyCCSXMKDJTJMYHF-UHFFFAOYSA-N
MW487.84 g/mol
LogP6.96
Rot. Bonds2

About 1-chloro-4-[2,2,2-tribromo-1-(4-chlorophenyl)ethyl]benzene

1-chloro-4-[2,2,2-tribromo-1-(4-chlorophenyl)ethyl]benzene (PubChem CID 20426) has the molecular formula C14H9Br3Cl2 and a molecular weight of 487.84 g/mol. Its IUPAC name is 1-chloro-4-[2,2,2-tribromo-1-(4-chlorophenyl)ethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[2,2,2-tribromo-1-(4-chlorophenyl)ethyl]benzene
PubChem CID20426
Molecular FormulaC14H9Br3Cl2
Molecular Weight487.84 g/mol
Exact Mass483.76
IUPAC Name1-chloro-4-[2,2,2-tribromo-1-(4-chlorophenyl)ethyl]benzene
SMILESClc1ccc(C(c2ccc(Cl)cc2)C(Br)(Br)Br)cc1
InChIInChI=1S/C14H9Br3Cl2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13H
InChIKeyCCSXMKDJTJMYHF-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.84
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2,2,2-tribromo-1-(4-chlorophenyl)ethyl]benzene?
The IUPAC name of 1-chloro-4-[2,2,2-tribromo-1-(4-chlorophenyl)ethyl]benzene (CID 20426) is 1-chloro-4-[2,2,2-tribromo-1-(4-chlorophenyl)ethyl]benzene.
What is the SMILES notation for 1-chloro-4-[2,2,2-tribromo-1-(4-chlorophenyl)ethyl]benzene?
The canonical SMILES for 1-chloro-4-[2,2,2-tribromo-1-(4-chlorophenyl)ethyl]benzene is Clc1ccc(C(c2ccc(Cl)cc2)C(Br)(Br)Br)cc1.
What is the InChIKey of 1-chloro-4-[2,2,2-tribromo-1-(4-chlorophenyl)ethyl]benzene?
The InChIKey is CCSXMKDJTJMYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br3Cl2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13H.
What are the key properties of 1-chloro-4-[2,2,2-tribromo-1-(4-chlorophenyl)ethyl]benzene?
1-chloro-4-[2,2,2-tribromo-1-(4-chlorophenyl)ethyl]benzene has a molecular weight of 487.84 g/mol, XLogP of 6.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2,2,2-tribromo-1-(4-chlorophenyl)ethyl]benzene is sourced from PubChem (CID 20426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).