1-bromo-3-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]benzene

C13H16Br2 — CID 107003144

IUPAC1-bromo-3-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]benzene
SMILESCC1(C)CC1C(Br)Cc1cccc(Br)c1
InChIInChI=1S/C13H16Br2/c1-13(2)8-11(13)12(15)7-9-4-3-5-10(14)6-9/h3-6,11-12H,7-8H2,1-2H3
InChIKeyMIXHPRKZEJJSCH-UHFFFAOYSA-N
MW332.08 g/mol
LogP4.80
Rot. Bonds3

About 1-bromo-3-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]benzene

1-bromo-3-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]benzene (PubChem CID 107003144) has the molecular formula C13H16Br2 and a molecular weight of 332.08 g/mol. Its IUPAC name is 1-bromo-3-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]benzene
PubChem CID107003144
Molecular FormulaC13H16Br2
Molecular Weight332.08 g/mol
Exact Mass329.96
IUPAC Name1-bromo-3-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]benzene
SMILESCC1(C)CC1C(Br)Cc1cccc(Br)c1
InChIInChI=1S/C13H16Br2/c1-13(2)8-11(13)12(15)7-9-4-3-5-10(14)6-9/h3-6,11-12H,7-8H2,1-2H3
InChIKeyMIXHPRKZEJJSCH-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.08
LogP ≤ 54.80
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-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-3-chlorobenzene
CID 107003146
1-bromo-3-[2-bromo-2-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzene
CID 66478431
[1-bromo-2-(3-bromophenyl)ethyl]cycloheptane
CID 63531421
1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene
CID 107183721
2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 66476339
2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 66478373
3-[1-bromo-2-(3-bromophenyl)ethyl]-2,4,5-trimethyloxolane
CID 65159640
1-bromo-3-(2-bromo-3,3-dimethylbutyl)benzene
CID 63530904
1-(3-bromophenyl)butan-2-amine;hydrochloride
CID 170888459
N-[1-(3-bromophenyl)propan-2-yl]cyclopentanamine
CID 82262667
1-bromo-3-(2,2-dimethoxyethyl)benzene;ethane
CID 143308934
1-bromo-3-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene
CID 107183607

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]benzene?
The IUPAC name of 1-bromo-3-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]benzene (CID 107003144) is 1-bromo-3-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]benzene.
What is the SMILES notation for 1-bromo-3-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]benzene?
The canonical SMILES for 1-bromo-3-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]benzene is CC1(C)CC1C(Br)Cc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]benzene?
The InChIKey is MIXHPRKZEJJSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2/c1-13(2)8-11(13)12(15)7-9-4-3-5-10(14)6-9/h3-6,11-12H,7-8H2,1-2H3.
What are the key properties of 1-bromo-3-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]benzene?
1-bromo-3-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]benzene has a molecular weight of 332.08 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]benzene is sourced from PubChem (CID 107003144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).