1-bromo-4-[1-(4-bromophenyl)-2,2,2-trichloroethyl]benzene

C14H9Br2Cl3 — CID 18130

IUPAC1-bromo-4-[1-(4-bromophenyl)-2,2,2-trichloroethyl]benzene
SMILESClC(Cl)(Cl)C(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H9Br2Cl3/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H
InChIKeyYPWDDFGPYBIPBG-UHFFFAOYSA-N
MW443.39 g/mol
LogP6.71
Rot. Bonds2

About 1-bromo-4-[1-(4-bromophenyl)-2,2,2-trichloroethyl]benzene

1-bromo-4-[1-(4-bromophenyl)-2,2,2-trichloroethyl]benzene (PubChem CID 18130) has the molecular formula C14H9Br2Cl3 and a molecular weight of 443.39 g/mol. Its IUPAC name is 1-bromo-4-[1-(4-bromophenyl)-2,2,2-trichloroethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[1-(4-bromophenyl)-2,2,2-trichloroethyl]benzene
PubChem CID18130
Molecular FormulaC14H9Br2Cl3
Molecular Weight443.39 g/mol
Exact Mass439.81
IUPAC Name1-bromo-4-[1-(4-bromophenyl)-2,2,2-trichloroethyl]benzene
SMILESClC(Cl)(Cl)C(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H9Br2Cl3/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H
InChIKeyYPWDDFGPYBIPBG-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.39
LogP ≤ 56.71
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-bromo-4-[1-(4-bromophenyl)-2,2,2-trichloroethyl]benzene?
The IUPAC name of 1-bromo-4-[1-(4-bromophenyl)-2,2,2-trichloroethyl]benzene (CID 18130) is 1-bromo-4-[1-(4-bromophenyl)-2,2,2-trichloroethyl]benzene.
What is the SMILES notation for 1-bromo-4-[1-(4-bromophenyl)-2,2,2-trichloroethyl]benzene?
The canonical SMILES for 1-bromo-4-[1-(4-bromophenyl)-2,2,2-trichloroethyl]benzene is ClC(Cl)(Cl)C(c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[1-(4-bromophenyl)-2,2,2-trichloroethyl]benzene?
The InChIKey is YPWDDFGPYBIPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2Cl3/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H.
What are the key properties of 1-bromo-4-[1-(4-bromophenyl)-2,2,2-trichloroethyl]benzene?
1-bromo-4-[1-(4-bromophenyl)-2,2,2-trichloroethyl]benzene has a molecular weight of 443.39 g/mol, XLogP of 6.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[1-(4-bromophenyl)-2,2,2-trichloroethyl]benzene is sourced from PubChem (CID 18130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).