1,2,2-trichloro-2-stibanylethanol

C2H4Cl3OSb — CID 174830796

IUPAC1,2,2-trichloro-2-stibanylethanol
SMILESOC(Cl)C(Cl)(Cl)[SbH2]
InChIInChI=1S/C2H2Cl3O.Sb.2H/c3-1(4)2(5)6;;;/h2,6H;;;
InChIKeyOMVZKCVCKKCRHE-UHFFFAOYSA-N
MW272.17 g/mol
LogP0.31
Rot. Bonds1

About 1,2,2-trichloro-2-stibanylethanol

1,2,2-trichloro-2-stibanylethanol (PubChem CID 174830796) has the molecular formula C2H4Cl3OSb and a molecular weight of 272.17 g/mol. Its IUPAC name is 1,2,2-trichloro-2-stibanylethanol.

Molecular Properties

Compound Name1,2,2-trichloro-2-stibanylethanol
PubChem CID174830796
Molecular FormulaC2H4Cl3OSb
Molecular Weight272.17 g/mol
Exact Mass269.84
IUPAC Name1,2,2-trichloro-2-stibanylethanol
SMILESOC(Cl)C(Cl)(Cl)[SbH2]
InChIInChI=1S/C2H2Cl3O.Sb.2H/c3-1(4)2(5)6;;;/h2,6H;;;
InChIKeyOMVZKCVCKKCRHE-UHFFFAOYSA-N
XLogP0.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4-heptachlorobutane-1,4-diol
CID 154510246
1,2,2,3,3,4,4,5,5,6,6,6-dodecachlorohexan-1-ol
CID 87603621
azane;2,2,2-trichloroethane-1,1-diol
CID 173440333
1,1,2,2-tetrachloroethanol
CID 18356623
dichloromethanol;hydrate
CID 90388794
dichloromethanol;titanium
CID 150712352
nickel;tetrahydroxyphosphanium
CID 175076468
2-chloro-1,2,2-trifluoroethanol
CID 57117523
(1,1,2,2-Tetrachloroethane-1,2-diyl)bis[(dichloromethyl)silane]
CID 78064229
1,2,2-trichloro-2-phenoxyethanol
CID 70373025
chloroform;propan-2-ol
CID 173195035
1,1,1,3-tetrachloro-2,3-difluoropropane
CID 163360426

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trichloro-2-stibanylethanol?
The IUPAC name of 1,2,2-trichloro-2-stibanylethanol (CID 174830796) is 1,2,2-trichloro-2-stibanylethanol.
What is the SMILES notation for 1,2,2-trichloro-2-stibanylethanol?
The canonical SMILES for 1,2,2-trichloro-2-stibanylethanol is OC(Cl)C(Cl)(Cl)[SbH2].
What is the InChIKey of 1,2,2-trichloro-2-stibanylethanol?
The InChIKey is OMVZKCVCKKCRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Cl3O.Sb.2H/c3-1(4)2(5)6;;;/h2,6H;;;.
What are the key properties of 1,2,2-trichloro-2-stibanylethanol?
1,2,2-trichloro-2-stibanylethanol has a molecular weight of 272.17 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trichloro-2-stibanylethanol is sourced from PubChem (CID 174830796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).