2,2,2-tribromoethanol

C2H3Br3O — CID 6400

💊View drug profile → tribromoethanol
IUPAC2,2,2-tribromoethanol
SMILESOCC(Br)(Br)Br
InChIInChI=1S/C2H3Br3O/c3-2(4,5)1-6/h6H,1H2
InChIKeyYFDSDPIBEUFTMI-UHFFFAOYSA-N
MW282.76 g/mol
LogP1.82
Rot. Bonds

About 2,2,2-tribromoethanol

2,2,2-tribromoethanol (PubChem CID 6400) has the molecular formula C2H3Br3O and a molecular weight of 282.76 g/mol. Its IUPAC name is 2,2,2-tribromoethanol.

Molecular Properties

Compound Name2,2,2-tribromoethanol
PubChem CID6400
Molecular FormulaC2H3Br3O
Molecular Weight282.76 g/mol
Exact Mass279.77
IUPAC Name2,2,2-tribromoethanol
SMILESOCC(Br)(Br)Br
InChIInChI=1S/C2H3Br3O/c3-2(4,5)1-6/h6H,1H2
InChIKeyYFDSDPIBEUFTMI-UHFFFAOYSA-N
XLogP1.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethanol, 2,2-dibromo-
CID 123582
2,2-Dibromo-2-fluoroethanol
CID 57025342
2-Tribromoethanol
CID 19422875
1,2-Dibromoethanol
CID 53691297
2,2,2-Tribromo-1-fluoroethanol
CID 57247243
1,2,2,2-Tetrabromoethanol
CID 14509917
2,2-Dibromoethenol
CID 71742748
Titanium;2,2,2-tribromoethanol
CID 87557738
Titanium;1,2,2-tribromoethanol
CID 87557739
2-Bromoethanol;hydrobromide
CID 141567879

Frequently Asked Questions

What is the IUPAC name of 2,2,2-tribromoethanol?
The IUPAC name of 2,2,2-tribromoethanol (CID 6400) is 2,2,2-tribromoethanol.
What is the SMILES notation for 2,2,2-tribromoethanol?
The canonical SMILES for 2,2,2-tribromoethanol is OCC(Br)(Br)Br.
What is the InChIKey of 2,2,2-tribromoethanol?
The InChIKey is YFDSDPIBEUFTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Br3O/c3-2(4,5)1-6/h6H,1H2.
What are the key properties of 2,2,2-tribromoethanol?
2,2,2-tribromoethanol has a molecular weight of 282.76 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tribromoethanol is sourced from PubChem (CID 6400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).