(2S,3S)-2,3-dibromobutane

C4H8Br2 — CID 23270428

IUPAC(2S,3S)-2,3-dibromobutane
SMILESC[C@H](Br)[C@H](C)Br
InChIInChI=1S/C4H8Br2/c1-3(5)4(2)6/h3-4H,1-2H3/t3-,4-/m0/s1
InChIKeyBXXWFOGWXLJPPA-IMJSIDKUSA-N
MW215.92 g/mol
LogP2.55
Rot. Bonds1

About (2S,3S)-2,3-dibromobutane

(2S,3S)-2,3-dibromobutane (PubChem CID 23270428) has the molecular formula C4H8Br2 and a molecular weight of 215.92 g/mol. Its IUPAC name is (2S,3S)-2,3-dibromobutane.

Molecular Properties

Compound Name(2S,3S)-2,3-dibromobutane
PubChem CID23270428
Molecular FormulaC4H8Br2
Molecular Weight215.92 g/mol
Exact Mass213.90
IUPAC Name(2S,3S)-2,3-dibromobutane
SMILESC[C@H](Br)[C@H](C)Br
InChIInChI=1S/C4H8Br2/c1-3(5)4(2)6/h3-4H,1-2H3/t3-,4-/m0/s1
InChIKeyBXXWFOGWXLJPPA-IMJSIDKUSA-N
XLogP2.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.92
LogP ≤ 52.55
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 (2S,3S)-2,3-dibromobutane?
The IUPAC name of (2S,3S)-2,3-dibromobutane (CID 23270428) is (2S,3S)-2,3-dibromobutane.
What is the SMILES notation for (2S,3S)-2,3-dibromobutane?
The canonical SMILES for (2S,3S)-2,3-dibromobutane is C[C@H](Br)[C@H](C)Br.
What is the InChIKey of (2S,3S)-2,3-dibromobutane?
The InChIKey is BXXWFOGWXLJPPA-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H8Br2/c1-3(5)4(2)6/h3-4H,1-2H3/t3-,4-/m0/s1.
What are the key properties of (2S,3S)-2,3-dibromobutane?
(2S,3S)-2,3-dibromobutane has a molecular weight of 215.92 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dibromobutane is sourced from PubChem (CID 23270428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).