2,2,2-tribromo-1-methoxyethanol

C3H5Br3O2 — CID 13096273

IUPAC2,2,2-tribromo-1-methoxyethanol
SMILESCOC(O)C(Br)(Br)Br
InChIInChI=1S/C3H5Br3O2/c1-8-2(7)3(4,5)6/h2,7H,1H3
InChIKeyRKHKUWKJGPVPTE-UHFFFAOYSA-N
MW312.78 g/mol
LogP1.79
Rot. Bonds1

About 2,2,2-tribromo-1-methoxyethanol

2,2,2-tribromo-1-methoxyethanol (PubChem CID 13096273) has the molecular formula C3H5Br3O2 and a molecular weight of 312.78 g/mol. Its IUPAC name is 2,2,2-tribromo-1-methoxyethanol.

Molecular Properties

Compound Name2,2,2-tribromo-1-methoxyethanol
PubChem CID13096273
Molecular FormulaC3H5Br3O2
Molecular Weight312.78 g/mol
Exact Mass309.78
IUPAC Name2,2,2-tribromo-1-methoxyethanol
SMILESCOC(O)C(Br)(Br)Br
InChIInChI=1S/C3H5Br3O2/c1-8-2(7)3(4,5)6/h2,7H,1H3
InChIKeyRKHKUWKJGPVPTE-UHFFFAOYSA-N
XLogP1.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-1-methoxyethanol
CID 9892
3-bromo-1-methoxy-2,2-dimethylpropan-1-ol
CID 168838897
3-hydroxy-3-methoxy-2,2-dimethylpropanal
CID 123817001
bromo(methoxy)methanol
CID 54225350
1-methoxy-2,2-dimethylbutan-1-ol
CID 20675645
2,2-difluoro-1-methoxy-3-methylbutan-1-ol
CID 10241005
acetic acid;2,2,2-tribromo-1-[(2-methylpropan-2-yl)oxy]ethanol
CID 71341461
ethane-1,1,1-triol;methoxymethanediol
CID 158946660
methanol;methoxymethanediol
CID 162244729
methyl 2,2,3,3,4,4,5,5-octafluoro-6-hydroxy-6-methoxyhexanoate
CID 171417883
ethane;1-methoxyethanol
CID 157348595
1-methoxy-2-methyl-2-(prop-2-enoxymethyl)butan-1-ol
CID 87199324

Frequently Asked Questions

What is the IUPAC name of 2,2,2-tribromo-1-methoxyethanol?
The IUPAC name of 2,2,2-tribromo-1-methoxyethanol (CID 13096273) is 2,2,2-tribromo-1-methoxyethanol.
What is the SMILES notation for 2,2,2-tribromo-1-methoxyethanol?
The canonical SMILES for 2,2,2-tribromo-1-methoxyethanol is COC(O)C(Br)(Br)Br.
What is the InChIKey of 2,2,2-tribromo-1-methoxyethanol?
The InChIKey is RKHKUWKJGPVPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Br3O2/c1-8-2(7)3(4,5)6/h2,7H,1H3.
What are the key properties of 2,2,2-tribromo-1-methoxyethanol?
2,2,2-tribromo-1-methoxyethanol has a molecular weight of 312.78 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tribromo-1-methoxyethanol is sourced from PubChem (CID 13096273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).