(2R)-1-bromo-3-chloro-2-methylpropane

C4H8BrCl — CID 642183

IUPAC(2R)-1-bromo-3-chloro-2-methylpropane
SMILESC[C@H](CCl)CBr
InChIInChI=1S/C4H8BrCl/c1-4(2-5)3-6/h4H,2-3H2,1H3/t4-/m0/s1
InChIKeyZKDOQFPDSUOLGF-BYPYZUCNSA-N
MW171.46 g/mol
LogP2.26
Rot. Bonds2

About (2R)-1-bromo-3-chloro-2-methylpropane

(2R)-1-bromo-3-chloro-2-methylpropane (PubChem CID 642183) has the molecular formula C4H8BrCl and a molecular weight of 171.46 g/mol. Its IUPAC name is (2R)-1-bromo-3-chloro-2-methylpropane.

Molecular Properties

Compound Name(2R)-1-bromo-3-chloro-2-methylpropane
PubChem CID642183
Molecular FormulaC4H8BrCl
Molecular Weight171.46 g/mol
Exact Mass169.95
IUPAC Name(2R)-1-bromo-3-chloro-2-methylpropane
SMILESC[C@H](CCl)CBr
InChIInChI=1S/C4H8BrCl/c1-4(2-5)3-6/h4H,2-3H2,1H3/t4-/m0/s1
InChIKeyZKDOQFPDSUOLGF-BYPYZUCNSA-N
XLogP2.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.46
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-bromo-3-chloro-2-methylpropane?
The IUPAC name of (2R)-1-bromo-3-chloro-2-methylpropane (CID 642183) is (2R)-1-bromo-3-chloro-2-methylpropane.
What is the SMILES notation for (2R)-1-bromo-3-chloro-2-methylpropane?
The canonical SMILES for (2R)-1-bromo-3-chloro-2-methylpropane is C[C@H](CCl)CBr.
What is the InChIKey of (2R)-1-bromo-3-chloro-2-methylpropane?
The InChIKey is ZKDOQFPDSUOLGF-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8BrCl/c1-4(2-5)3-6/h4H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of (2R)-1-bromo-3-chloro-2-methylpropane?
(2R)-1-bromo-3-chloro-2-methylpropane has a molecular weight of 171.46 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-bromo-3-chloro-2-methylpropane is sourced from PubChem (CID 642183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).