2,2-dibromopropan-1-ol

C3H6Br2O — CID 14830026

IUPAC2,2-dibromopropan-1-ol
SMILESCC(Br)(Br)CO
InChIInChI=1S/C3H6Br2O/c1-3(4,5)2-6/h6H,2H2,1H3
InChIKeyUYEQIMQEZRVKCR-UHFFFAOYSA-N
MW217.89 g/mol
LogP1.48
Rot. Bonds1

About 2,2-dibromopropan-1-ol

2,2-dibromopropan-1-ol (PubChem CID 14830026) has the molecular formula C3H6Br2O and a molecular weight of 217.89 g/mol. Its IUPAC name is 2,2-dibromopropan-1-ol.

Molecular Properties

Compound Name2,2-dibromopropan-1-ol
PubChem CID14830026
Molecular FormulaC3H6Br2O
Molecular Weight217.89 g/mol
Exact Mass215.88
IUPAC Name2,2-dibromopropan-1-ol
SMILESCC(Br)(Br)CO
InChIInChI=1S/C3H6Br2O/c1-3(4,5)2-6/h6H,2H2,1H3
InChIKeyUYEQIMQEZRVKCR-UHFFFAOYSA-N
XLogP1.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.89
LogP ≤ 51.48
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 2,2-dibromopropan-1-ol?
The IUPAC name of 2,2-dibromopropan-1-ol (CID 14830026) is 2,2-dibromopropan-1-ol.
What is the SMILES notation for 2,2-dibromopropan-1-ol?
The canonical SMILES for 2,2-dibromopropan-1-ol is CC(Br)(Br)CO.
What is the InChIKey of 2,2-dibromopropan-1-ol?
The InChIKey is UYEQIMQEZRVKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Br2O/c1-3(4,5)2-6/h6H,2H2,1H3.
What are the key properties of 2,2-dibromopropan-1-ol?
2,2-dibromopropan-1-ol has a molecular weight of 217.89 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromopropan-1-ol is sourced from PubChem (CID 14830026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).