2-(bromomethyl)-1,1-dichloro-2-methylbutane

C6H11BrCl2 — CID 131851678

IUPAC2-(bromomethyl)-1,1-dichloro-2-methylbutane
SMILESCCC(C)(CBr)C(Cl)Cl
InChIInChI=1S/C6H11BrCl2/c1-3-6(2,4-7)5(8)9/h5H,3-4H2,1-2H3
InChIKeyNXWNCGCBFQYWDW-UHFFFAOYSA-N
MW233.96 g/mol
LogP3.60
Rot. Bonds3

About 2-(bromomethyl)-1,1-dichloro-2-methylbutane

2-(bromomethyl)-1,1-dichloro-2-methylbutane (PubChem CID 131851678) has the molecular formula C6H11BrCl2 and a molecular weight of 233.96 g/mol. Its IUPAC name is 2-(bromomethyl)-1,1-dichloro-2-methylbutane.

Molecular Properties

Compound Name2-(bromomethyl)-1,1-dichloro-2-methylbutane
PubChem CID131851678
Molecular FormulaC6H11BrCl2
Molecular Weight233.96 g/mol
Exact Mass231.94
IUPAC Name2-(bromomethyl)-1,1-dichloro-2-methylbutane
SMILESCCC(C)(CBr)C(Cl)Cl
InChIInChI=1S/C6H11BrCl2/c1-3-6(2,4-7)5(8)9/h5H,3-4H2,1-2H3
InChIKeyNXWNCGCBFQYWDW-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.96
LogP ≤ 53.60
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

4-(bromomethyl)-2,3,4-trimethylhexane
CID 131230810
3-(bromomethyl)-1-ethoxy-3,4-dimethylpentane
CID 83153665
3,5-diethyl-3,5-dimethylheptan-4-ol
CID 58905143
4-ethyl-4-methylhexan-3-amine
CID 163866952
1-chloro-1-fluoro-2,2-dimethylpropane;2,2-dimethylbutane
CID 167651170
2-methylbutan-2-ol;1,1,2-tribromoethanol
CID 174782089
1-ethoxy-3-ethyl-3,4-dimethylhexane
CID 90857890
4-(bromomethyl)-2,2-difluoro-4,5-dimethylhexane
CID 165446111
3-(bromomethyl)-1,1-difluoro-3-methylpentane
CID 165443659
1,1,2,2-tetrachloroethane;1,1,1-trichloropropane
CID 18956861
ethane;3-ethyl-3-methylpentane
CID 158904304
(1,1-dichloro-2-methylpropan-2-yl)-ethylsilane
CID 173059578

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1,1-dichloro-2-methylbutane?
The IUPAC name of 2-(bromomethyl)-1,1-dichloro-2-methylbutane (CID 131851678) is 2-(bromomethyl)-1,1-dichloro-2-methylbutane.
What is the SMILES notation for 2-(bromomethyl)-1,1-dichloro-2-methylbutane?
The canonical SMILES for 2-(bromomethyl)-1,1-dichloro-2-methylbutane is CCC(C)(CBr)C(Cl)Cl.
What is the InChIKey of 2-(bromomethyl)-1,1-dichloro-2-methylbutane?
The InChIKey is NXWNCGCBFQYWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrCl2/c1-3-6(2,4-7)5(8)9/h5H,3-4H2,1-2H3.
What are the key properties of 2-(bromomethyl)-1,1-dichloro-2-methylbutane?
2-(bromomethyl)-1,1-dichloro-2-methylbutane has a molecular weight of 233.96 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1,1-dichloro-2-methylbutane is sourced from PubChem (CID 131851678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).