1-(2-bromoethyl)-2-(dichloromethyl)benzene

C9H9BrCl2 — CID 86151728

IUPAC1-(2-bromoethyl)-2-(dichloromethyl)benzene
SMILESClC(Cl)c1ccccc1CCBr
InChIInChI=1S/C9H9BrCl2/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,9H,5-6H2
InChIKeyRFLDAVJEQRGREI-UHFFFAOYSA-N
MW267.98 g/mol
LogP4.10
Rot. Bonds3

About 1-(2-bromoethyl)-2-(dichloromethyl)benzene

1-(2-bromoethyl)-2-(dichloromethyl)benzene (PubChem CID 86151728) has the molecular formula C9H9BrCl2 and a molecular weight of 267.98 g/mol. Its IUPAC name is 1-(2-bromoethyl)-2-(dichloromethyl)benzene.

Molecular Properties

Compound Name1-(2-bromoethyl)-2-(dichloromethyl)benzene
PubChem CID86151728
Molecular FormulaC9H9BrCl2
Molecular Weight267.98 g/mol
Exact Mass265.93
IUPAC Name1-(2-bromoethyl)-2-(dichloromethyl)benzene
SMILESClC(Cl)c1ccccc1CCBr
InChIInChI=1S/C9H9BrCl2/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,9H,5-6H2
InChIKeyRFLDAVJEQRGREI-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.98
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(2-bromoethyl)-2-(dichloromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloroethyl)-2-(dichloromethyl)benzene
CID 70578989
2-(2-bromoethyl)benzenethiol
CID 22048103
1-(2-bromoethyl)-2-propylbenzene
CID 70218831
[2-(2-bromoethyl)phenyl]methyl-triphenylphosphanium
CID 5143606
1-(2-bromoethyl)naphthalene;hydrofluoride
CID 174588408
2-(2-bromoethyl)benzonitrile
CID 57227888
1-[2-(2-aminoethyl)phenyl]-4-bromobutane-1,2-diol
CID 171892067
2-(2-bromoethyl)benzenesulfonic acid
CID 54404796
acetylene;1-(2-bromoethyl)-2-methoxybenzene
CID 143927772
2-[2-(dihydroxymethyl)phenyl]acetic acid
CID 178118262
1-[2-(3-hydroxypropyl)phenyl]ethane-1,2-diol
CID 117286234
1-(2-bromoethyl)-2-cyclobutylbenzene
CID 114605787

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-2-(dichloromethyl)benzene?
The IUPAC name of 1-(2-bromoethyl)-2-(dichloromethyl)benzene (CID 86151728) is 1-(2-bromoethyl)-2-(dichloromethyl)benzene.
What is the SMILES notation for 1-(2-bromoethyl)-2-(dichloromethyl)benzene?
The canonical SMILES for 1-(2-bromoethyl)-2-(dichloromethyl)benzene is ClC(Cl)c1ccccc1CCBr.
What is the InChIKey of 1-(2-bromoethyl)-2-(dichloromethyl)benzene?
The InChIKey is RFLDAVJEQRGREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrCl2/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,9H,5-6H2.
What are the key properties of 1-(2-bromoethyl)-2-(dichloromethyl)benzene?
1-(2-bromoethyl)-2-(dichloromethyl)benzene has a molecular weight of 267.98 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-2-(dichloromethyl)benzene is sourced from PubChem (CID 86151728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).