1-bromo-2-(3-bromo-2,2-dimethylpropyl)benzene

C11H14Br2 — CID 66049057

IUPAC1-bromo-2-(3-bromo-2,2-dimethylpropyl)benzene
SMILESCC(C)(CBr)Cc1ccccc1Br
InChIInChI=1S/C11H14Br2/c1-11(2,8-12)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3
InChIKeyYMLFLDPVCOEMGT-UHFFFAOYSA-N
MW306.04 g/mol
LogP4.41
Rot. Bonds3

About 1-bromo-2-(3-bromo-2,2-dimethylpropyl)benzene

1-bromo-2-(3-bromo-2,2-dimethylpropyl)benzene (PubChem CID 66049057) has the molecular formula C11H14Br2 and a molecular weight of 306.04 g/mol. Its IUPAC name is 1-bromo-2-(3-bromo-2,2-dimethylpropyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(3-bromo-2,2-dimethylpropyl)benzene
PubChem CID66049057
Molecular FormulaC11H14Br2
Molecular Weight306.04 g/mol
Exact Mass303.95
IUPAC Name1-bromo-2-(3-bromo-2,2-dimethylpropyl)benzene
SMILESCC(C)(CBr)Cc1ccccc1Br
InChIInChI=1S/C11H14Br2/c1-11(2,8-12)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3
InChIKeyYMLFLDPVCOEMGT-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.04
LogP ≤ 54.41
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

[1-(2-bromophenyl)-2-methylpropan-2-yl]azanium
CID 156884808
1-bromo-2-(2,2-difluoropropyl)benzene
CID 84698254
1-bromo-2-[2-(bromomethyl)-2-methylbut-3-enyl]benzene
CID 102642227
1-(2-bromophenyl)-2-phenylpropan-2-ol
CID 60798344
1,2-bis(2-bromophenyl)propan-2-amine
CID 54919156
1-(2-bromophenyl)-2-methylpentan-2-ol
CID 80557375
2-amino-3-(2-bromophenyl)-2-methylpropanoic acid
CID 53401931
2-[(2-bromophenyl)methyl]-3,3-difluoro-2-methylpropan-1-amine
CID 84730326
3-(3-bromo-2,2-dimethylpropyl)-1-benzothiophene
CID 66048185
N,N-bis[(2-bromophenyl)methyl]-2-methylpropan-2-amine
CID 90670860
1-bromo-2-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 58013688
2-[(2-bromophenyl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 79449753

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(3-bromo-2,2-dimethylpropyl)benzene?
The IUPAC name of 1-bromo-2-(3-bromo-2,2-dimethylpropyl)benzene (CID 66049057) is 1-bromo-2-(3-bromo-2,2-dimethylpropyl)benzene.
What is the SMILES notation for 1-bromo-2-(3-bromo-2,2-dimethylpropyl)benzene?
The canonical SMILES for 1-bromo-2-(3-bromo-2,2-dimethylpropyl)benzene is CC(C)(CBr)Cc1ccccc1Br.
What is the InChIKey of 1-bromo-2-(3-bromo-2,2-dimethylpropyl)benzene?
The InChIKey is YMLFLDPVCOEMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2/c1-11(2,8-12)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-bromo-2-(3-bromo-2,2-dimethylpropyl)benzene?
1-bromo-2-(3-bromo-2,2-dimethylpropyl)benzene has a molecular weight of 306.04 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(3-bromo-2,2-dimethylpropyl)benzene is sourced from PubChem (CID 66049057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).