(2S)-2,3-dibromopropan-1-ol

C3H6Br2O — CID 641235

IUPAC(2S)-2,3-dibromopropan-1-ol
SMILESOC[C@H](Br)CBr
InChIInChI=1S/C3H6Br2O/c4-1-3(5)2-6/h3,6H,1-2H2/t3-/m1/s1
InChIKeyQWVCIORZLNBIIC-GSVOUGTGSA-N
MW217.89 g/mol
LogP1.14
Rot. Bonds2

About (2S)-2,3-dibromopropan-1-ol

(2S)-2,3-dibromopropan-1-ol (PubChem CID 641235) has the molecular formula C3H6Br2O and a molecular weight of 217.89 g/mol. Its IUPAC name is (2S)-2,3-dibromopropan-1-ol.

Molecular Properties

Compound Name(2S)-2,3-dibromopropan-1-ol
PubChem CID641235
Molecular FormulaC3H6Br2O
Molecular Weight217.89 g/mol
Exact Mass215.88
IUPAC Name(2S)-2,3-dibromopropan-1-ol
SMILESOC[C@H](Br)CBr
InChIInChI=1S/C3H6Br2O/c4-1-3(5)2-6/h3,6H,1-2H2/t3-/m1/s1
InChIKeyQWVCIORZLNBIIC-GSVOUGTGSA-N
XLogP1.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.89
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-2,3-dibromopropan-1-ol?
The IUPAC name of (2S)-2,3-dibromopropan-1-ol (CID 641235) is (2S)-2,3-dibromopropan-1-ol.
What is the SMILES notation for (2S)-2,3-dibromopropan-1-ol?
The canonical SMILES for (2S)-2,3-dibromopropan-1-ol is OC[C@H](Br)CBr.
What is the InChIKey of (2S)-2,3-dibromopropan-1-ol?
The InChIKey is QWVCIORZLNBIIC-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H6Br2O/c4-1-3(5)2-6/h3,6H,1-2H2/t3-/m1/s1.
What are the key properties of (2S)-2,3-dibromopropan-1-ol?
(2S)-2,3-dibromopropan-1-ol has a molecular weight of 217.89 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dibromopropan-1-ol is sourced from PubChem (CID 641235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).