1,2,2-tribromoethanol

C2H3Br3O — CID 19422875

IUPAC1,2,2-tribromoethanol
SMILESOC(Br)C(Br)Br
InChIInChI=1S/C2H3Br3O/c3-1(4)2(5)6/h1-2,6H
InChIKeyCYSBUYMIEUUBAP-UHFFFAOYSA-N
MW282.76 g/mol
LogP1.82
Rot. Bonds1

About 1,2,2-tribromoethanol

1,2,2-tribromoethanol (PubChem CID 19422875) has the molecular formula C2H3Br3O and a molecular weight of 282.76 g/mol. Its IUPAC name is 1,2,2-tribromoethanol.

Molecular Properties

Compound Name1,2,2-tribromoethanol
PubChem CID19422875
Molecular FormulaC2H3Br3O
Molecular Weight282.76 g/mol
Exact Mass279.77
IUPAC Name1,2,2-tribromoethanol
SMILESOC(Br)C(Br)Br
InChIInChI=1S/C2H3Br3O/c3-1(4)2(5)6/h1-2,6H
InChIKeyCYSBUYMIEUUBAP-UHFFFAOYSA-N
XLogP1.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

1-bromo-2,2-difluoroethanol
CID 87083635
nickel;tetrahydroxyphosphanium
CID 175076468
1,1-dibromo-3-methylbutan-2-ol
CID 15089986
1,1,3-tribromobutan-2-ol
CID 23054816
nobelium;1,1,2,2-tetrabromoethane
CID 174956331
2-bromo-1,2-diiodoethanol
CID 131737376
2,5-dibromohexane-3,4-diol
CID 102249432
bromo(methoxy)methanol
CID 54225350
2,2-dibromo-1-ethoxyethanol
CID 18421052
1,1-dibromo-2-methylpropane
CID 11663
1,3-dibromopropan-1-ol
CID 18177636
lithium;1-bromo-2,2,2-trifluoroethanol;hydride
CID 175003537

Frequently Asked Questions

What is the IUPAC name of 1,2,2-tribromoethanol?
The IUPAC name of 1,2,2-tribromoethanol (CID 19422875) is 1,2,2-tribromoethanol.
What is the SMILES notation for 1,2,2-tribromoethanol?
The canonical SMILES for 1,2,2-tribromoethanol is OC(Br)C(Br)Br.
What is the InChIKey of 1,2,2-tribromoethanol?
The InChIKey is CYSBUYMIEUUBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Br3O/c3-1(4)2(5)6/h1-2,6H.
What are the key properties of 1,2,2-tribromoethanol?
1,2,2-tribromoethanol has a molecular weight of 282.76 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-tribromoethanol is sourced from PubChem (CID 19422875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).