(2R)-1-bromo-2-(chloromethyl)-2-methylbutane

C6H12BrCl — CID 54115600

IUPAC(2R)-1-bromo-2-(chloromethyl)-2-methylbutane
SMILESCC[C@](C)(CCl)CBr
InChIInChI=1S/C6H12BrCl/c1-3-6(2,4-7)5-8/h3-5H2,1-2H3/t6-/m0/s1
InChIKeyXDCAJQNAXMYSQX-LURJTMIESA-N
MW199.52 g/mol
LogP3.04
Rot. Bonds3

About (2R)-1-bromo-2-(chloromethyl)-2-methylbutane

(2R)-1-bromo-2-(chloromethyl)-2-methylbutane (PubChem CID 54115600) has the molecular formula C6H12BrCl and a molecular weight of 199.52 g/mol. Its IUPAC name is (2R)-1-bromo-2-(chloromethyl)-2-methylbutane.

Molecular Properties

Compound Name(2R)-1-bromo-2-(chloromethyl)-2-methylbutane
PubChem CID54115600
Molecular FormulaC6H12BrCl
Molecular Weight199.52 g/mol
Exact Mass197.98
IUPAC Name(2R)-1-bromo-2-(chloromethyl)-2-methylbutane
SMILESCC[C@](C)(CCl)CBr
InChIInChI=1S/C6H12BrCl/c1-3-6(2,4-7)5-8/h3-5H2,1-2H3/t6-/m0/s1
InChIKeyXDCAJQNAXMYSQX-LURJTMIESA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.52
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2R)-1-bromo-2-(chloromethyl)-2-methylbutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Bromo-2-chloromethyl-2-methylcyclopropane
CID 13452185
1-Bromo-1-chloro-3,3-dimethylbutane
CID 5169162
3-Methyl-2,3-dibromo-1-chlorobutane
CID 163866
1-Bromo-4-chloro-2-methylbutane
CID 13194804
(2S)-1-bromo-4-chloro-2-methylbutane
CID 13194805
1-Bromo-2-chloro-3,3-dimethylbutane
CID 13663925
1-Bromo-2-(chloromethyl)butane
CID 21436506
1-Bromo-1-chloro-2,2-dimethylpropane
CID 54287707
4-Bromo-1-chloro-2,2-dimethylbutane
CID 57111091
5-Bromo-1-chloro-2,2-dimethylpentane
CID 57111619
1-Bromo-5-chloro-2,2-dimethylpentane
CID 57193938
1-Bromo-5-chloro-3,3-dimethylpentane
CID 57231700

Frequently Asked Questions

What is the IUPAC name of (2R)-1-bromo-2-(chloromethyl)-2-methylbutane?
The IUPAC name of (2R)-1-bromo-2-(chloromethyl)-2-methylbutane (CID 54115600) is (2R)-1-bromo-2-(chloromethyl)-2-methylbutane.
What is the SMILES notation for (2R)-1-bromo-2-(chloromethyl)-2-methylbutane?
The canonical SMILES for (2R)-1-bromo-2-(chloromethyl)-2-methylbutane is CC[C@](C)(CCl)CBr.
What is the InChIKey of (2R)-1-bromo-2-(chloromethyl)-2-methylbutane?
The InChIKey is XDCAJQNAXMYSQX-LURJTMIESA-N. The full InChI is InChI=1S/C6H12BrCl/c1-3-6(2,4-7)5-8/h3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (2R)-1-bromo-2-(chloromethyl)-2-methylbutane?
(2R)-1-bromo-2-(chloromethyl)-2-methylbutane has a molecular weight of 199.52 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-bromo-2-(chloromethyl)-2-methylbutane is sourced from PubChem (CID 54115600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).