1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene

C11H13Br2Cl — CID 79452940

IUPAC1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene
SMILESCC(CBr)(CBr)Cc1ccccc1Cl
InChIInChI=1S/C11H13Br2Cl/c1-11(7-12,8-13)6-9-4-2-3-5-10(9)14/h2-5H,6-8H2,1H3
InChIKeyXHVKKBRGLKWPQW-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.68
Rot. Bonds4

About 1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene

1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene (PubChem CID 79452940) has the molecular formula C11H13Br2Cl and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene.

Molecular Properties

Compound Name1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene
PubChem CID79452940
Molecular FormulaC11H13Br2Cl
Molecular Weight340.49 g/mol
Exact Mass337.91
IUPAC Name1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene
SMILESCC(CBr)(CBr)Cc1ccccc1Cl
InChIInChI=1S/C11H13Br2Cl/c1-11(7-12,8-13)6-9-4-2-3-5-10(9)14/h2-5H,6-8H2,1H3
InChIKeyXHVKKBRGLKWPQW-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.68
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-chlorophenyl)methyl]-3-fluoro-2-methylpropan-1-amine
CID 84723815
2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol
CID 66060666
1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chlorobenzene
CID 83151174
1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene
CID 79456158
2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 63509342
2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene
CID 66050273
2-(2-chlorophenyl)-1,1-difluoroethanamine;hydrochloride
CID 67811893
N-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine
CID 62718301
1-(2-chlorophenyl)-2-(2-fluorophenyl)propan-2-amine
CID 60797963
1-chloro-3-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2-fluorobenzene
CID 102863972
1-(1-bromo-2-fluoropropan-2-yl)-2-chlorobenzene
CID 53402375
1-[1-bromo-2-[(2-chlorophenyl)methoxy]propan-2-yl]-2-fluorobenzene
CID 114772847

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene?
The IUPAC name of 1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene (CID 79452940) is 1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene.
What is the SMILES notation for 1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene?
The canonical SMILES for 1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene is CC(CBr)(CBr)Cc1ccccc1Cl.
What is the InChIKey of 1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene?
The InChIKey is XHVKKBRGLKWPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2Cl/c1-11(7-12,8-13)6-9-4-2-3-5-10(9)14/h2-5H,6-8H2,1H3.
What are the key properties of 1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene?
1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene has a molecular weight of 340.49 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene is sourced from PubChem (CID 79452940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).