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

C15H20Br2 — CID 66478431

IUPAC1-bromo-3-[2-bromo-2-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzene
SMILESCC1(C)C(C(Br)Cc2cccc(Br)c2)C1(C)C
InChIInChI=1S/C15H20Br2/c1-14(2)13(15(14,3)4)12(17)9-10-6-5-7-11(16)8-10/h5-8,12-13H,9H2,1-4H3
InChIKeyYZVNJKPRKYRWJH-UHFFFAOYSA-N
MW360.13 g/mol
LogP5.44
Rot. Bonds3

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

1-bromo-3-[2-bromo-2-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzene (PubChem CID 66478431) has the molecular formula C15H20Br2 and a molecular weight of 360.13 g/mol. Its IUPAC name is 1-bromo-3-[2-bromo-2-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[2-bromo-2-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzene
PubChem CID66478431
Molecular FormulaC15H20Br2
Molecular Weight360.13 g/mol
Exact Mass357.99
IUPAC Name1-bromo-3-[2-bromo-2-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzene
SMILESCC1(C)C(C(Br)Cc2cccc(Br)c2)C1(C)C
InChIInChI=1S/C15H20Br2/c1-14(2)13(15(14,3)4)12(17)9-10-6-5-7-11(16)8-10/h5-8,12-13H,9H2,1-4H3
InChIKeyYZVNJKPRKYRWJH-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.13
LogP ≤ 55.44
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-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 66476339
2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 66478373
1-bromo-3-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]benzene
CID 107003144
[1-bromo-2-(3-bromophenyl)ethyl]cycloheptane
CID 63531421
1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene
CID 107183721
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-bromo-3-(2,2-dimethoxyethyl)benzene;ethane
CID 143308934
1-bromo-3-[2-[1-(3-bromophenyl)butan-2-yloxy]butyl]benzene
CID 67313726
2-bromo-3-(3-bromophenyl)propanamide
CID 104512986
1-bromo-3-[2-(bromomethyl)butyl]benzene
CID 66041649
1-(3-bromophenyl)butan-2-amine;hydrochloride
CID 170888459

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-bromo-2-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzene?
The IUPAC name of 1-bromo-3-[2-bromo-2-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzene (CID 66478431) is 1-bromo-3-[2-bromo-2-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzene.
What is the SMILES notation for 1-bromo-3-[2-bromo-2-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzene?
The canonical SMILES for 1-bromo-3-[2-bromo-2-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzene is CC1(C)C(C(Br)Cc2cccc(Br)c2)C1(C)C.
What is the InChIKey of 1-bromo-3-[2-bromo-2-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzene?
The InChIKey is YZVNJKPRKYRWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2/c1-14(2)13(15(14,3)4)12(17)9-10-6-5-7-11(16)8-10/h5-8,12-13H,9H2,1-4H3.
What are the key properties of 1-bromo-3-[2-bromo-2-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzene?
1-bromo-3-[2-bromo-2-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzene has a molecular weight of 360.13 g/mol, XLogP of 5.44, 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-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzene is sourced from PubChem (CID 66478431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).