1,1,2,2-tetrachloroethanol

C2H2Cl4O — CID 18356623

IUPAC1,1,2,2-tetrachloroethanol
SMILESOC(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C2H2Cl4O/c3-1(4)2(5,6)7/h1,7H
InChIKeyLQINPQOSBLVJBS-UHFFFAOYSA-N
MW183.85 g/mol
LogP1.91
Rot. Bonds1

About 1,1,2,2-tetrachloroethanol

1,1,2,2-tetrachloroethanol (PubChem CID 18356623) has the molecular formula C2H2Cl4O and a molecular weight of 183.85 g/mol. Its IUPAC name is 1,1,2,2-tetrachloroethanol.

Molecular Properties

Compound Name1,1,2,2-tetrachloroethanol
PubChem CID18356623
Molecular FormulaC2H2Cl4O
Molecular Weight183.85 g/mol
Exact Mass181.89
IUPAC Name1,1,2,2-tetrachloroethanol
SMILESOC(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C2H2Cl4O/c3-1(4)2(5,6)7/h1,7H
InChIKeyLQINPQOSBLVJBS-UHFFFAOYSA-N
XLogP1.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.85
LogP ≤ 51.91
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

1,1-dichloro-2-methylpropan-1-ol;methanol
CID 20560211
1,1,2,2,3,3,4-heptachlorobutane-1,4-diol
CID 154510246
1,1,2-trichloro-2-cyclopropylethanol
CID 70252485
3,4,4-trichloro-3-fluoro-2-methylbutan-2-ol
CID 119096858
1,1,2,2-tetrachloroethanethiol
CID 57290267
1,1,2,2,3,4,5,5,6,6-decachlorohexane
CID 119097624
1,1,2-trichloroprop-2-en-1-ol
CID 21122566
2,2,2-trichloroethane-1,1,1-triol
CID 22414067
1,1,2,2,2-pentachloroethanol
CID 20511029
(dichloromethane);2,2,3,3-tetrachloropropan-1-ol
CID 173499864
(dichloromethane);2,2,3,3-tetrachloropropan-1-ol
CID 172996538
potassium;hydride;1,1,1,2,2-pentachloroethane;sulfuric acid
CID 175274318

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrachloroethanol?
The IUPAC name of 1,1,2,2-tetrachloroethanol (CID 18356623) is 1,1,2,2-tetrachloroethanol.
What is the SMILES notation for 1,1,2,2-tetrachloroethanol?
The canonical SMILES for 1,1,2,2-tetrachloroethanol is OC(Cl)(Cl)C(Cl)Cl.
What is the InChIKey of 1,1,2,2-tetrachloroethanol?
The InChIKey is LQINPQOSBLVJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Cl4O/c3-1(4)2(5,6)7/h1,7H.
What are the key properties of 1,1,2,2-tetrachloroethanol?
1,1,2,2-tetrachloroethanol has a molecular weight of 183.85 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrachloroethanol is sourced from PubChem (CID 18356623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).