2-(3-bromo-2,2-dimethylpropyl)-1,4-dichlorobenzene

C11H13BrCl2 — CID 66048184

IUPAC2-(3-bromo-2,2-dimethylpropyl)-1,4-dichlorobenzene
SMILESCC(C)(CBr)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13BrCl2/c1-11(2,7-12)6-8-5-9(13)3-4-10(8)14/h3-5H,6-7H2,1-2H3
InChIKeyOMCPGWLUDZRYIN-UHFFFAOYSA-N
MW296.03 g/mol
LogP4.96
Rot. Bonds3

About 2-(3-bromo-2,2-dimethylpropyl)-1,4-dichlorobenzene

2-(3-bromo-2,2-dimethylpropyl)-1,4-dichlorobenzene (PubChem CID 66048184) has the molecular formula C11H13BrCl2 and a molecular weight of 296.03 g/mol. Its IUPAC name is 2-(3-bromo-2,2-dimethylpropyl)-1,4-dichlorobenzene.

Molecular Properties

Compound Name2-(3-bromo-2,2-dimethylpropyl)-1,4-dichlorobenzene
PubChem CID66048184
Molecular FormulaC11H13BrCl2
Molecular Weight296.03 g/mol
Exact Mass293.96
IUPAC Name2-(3-bromo-2,2-dimethylpropyl)-1,4-dichlorobenzene
SMILESCC(C)(CBr)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13BrCl2/c1-11(2,7-12)6-8-5-9(13)3-4-10(8)14/h3-5H,6-7H2,1-2H3
InChIKeyOMCPGWLUDZRYIN-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.03
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene
CID 66050273
2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,4-dichlorobenzene
CID 102642341
2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-dichlorobenzene
CID 79456363
N-[4-(2,5-dichlorophenyl)-3,3-dimethylbutyl]cyclopropanamine
CID 81023564
2-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]-1,4-dichlorobenzene
CID 79443813
2-(4-bromophenyl)-1-(2,5-dichlorophenyl)propan-2-amine
CID 65316676
1-bromo-4-chloro-2-(3-chloro-2,2-dimethylpropyl)benzene
CID 130598218
N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide
CID 115364763
3-(2,5-dichlorophenyl)-1,1-dimethoxy-2-methylpropan-2-ol
CID 66037663
1-(2,5-dichlorophenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65316898
1-(2,5-dichlorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 65316570
3-amino-2-[(2,5-dichlorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899867

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,2-dimethylpropyl)-1,4-dichlorobenzene?
The IUPAC name of 2-(3-bromo-2,2-dimethylpropyl)-1,4-dichlorobenzene (CID 66048184) is 2-(3-bromo-2,2-dimethylpropyl)-1,4-dichlorobenzene.
What is the SMILES notation for 2-(3-bromo-2,2-dimethylpropyl)-1,4-dichlorobenzene?
The canonical SMILES for 2-(3-bromo-2,2-dimethylpropyl)-1,4-dichlorobenzene is CC(C)(CBr)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(3-bromo-2,2-dimethylpropyl)-1,4-dichlorobenzene?
The InChIKey is OMCPGWLUDZRYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrCl2/c1-11(2,7-12)6-8-5-9(13)3-4-10(8)14/h3-5H,6-7H2,1-2H3.
What are the key properties of 2-(3-bromo-2,2-dimethylpropyl)-1,4-dichlorobenzene?
2-(3-bromo-2,2-dimethylpropyl)-1,4-dichlorobenzene has a molecular weight of 296.03 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,2-dimethylpropyl)-1,4-dichlorobenzene is sourced from PubChem (CID 66048184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).