1,1,2,2,2-pentachloroethanol

C2HCl5O — CID 20511029

IUPAC1,1,2,2,2-pentachloroethanol
SMILESOC(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C2HCl5O/c3-1(4,5)2(6,7)8/h8H
InChIKeyGNHASCMMTAHAAH-UHFFFAOYSA-N
MW218.29 g/mol
LogP2.48
Rot. Bonds

About 1,1,2,2,2-pentachloroethanol

1,1,2,2,2-pentachloroethanol (PubChem CID 20511029) has the molecular formula C2HCl5O and a molecular weight of 218.29 g/mol. Its IUPAC name is 1,1,2,2,2-pentachloroethanol.

Molecular Properties

Compound Name1,1,2,2,2-pentachloroethanol
PubChem CID20511029
Molecular FormulaC2HCl5O
Molecular Weight218.29 g/mol
Exact Mass215.85
IUPAC Name1,1,2,2,2-pentachloroethanol
SMILESOC(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C2HCl5O/c3-1(4,5)2(6,7)8/h8H
InChIKeyGNHASCMMTAHAAH-UHFFFAOYSA-N
XLogP2.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 52.48
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

2,2,2-trichloroethane-1,1,1-triol
CID 22414067
1,1,2,2,3,3,3-heptachloropropan-1-ol
CID 54123336
1,1,2-trichloropropane-1,2-diol
CID 87301844
bis(1,1,1-trichloro-2-methylpropan-2-ol);hydrate
CID 5284505
1,1,1,2,2,2-hexachloroethane;tetrachloromethane
CID 87168985
1,2,2,2-tetrachloro-1-methoxyethanol
CID 151039988
3,3,3-trichloro-2,2-dihydroxypropanoic acid
CID 2723815
ethanol;1,1,1-trichloro-2-methylpropan-2-ol
CID 88520604
1,1,2-trichloroethanol
CID 14671512
1,1,2-trichloroethanol
CID 176909401
1,1,2,2-tetrachloroethanol
CID 18356623
CID 155675070
CID 155675070

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentachloroethanol?
The IUPAC name of 1,1,2,2,2-pentachloroethanol (CID 20511029) is 1,1,2,2,2-pentachloroethanol.
What is the SMILES notation for 1,1,2,2,2-pentachloroethanol?
The canonical SMILES for 1,1,2,2,2-pentachloroethanol is OC(Cl)(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of 1,1,2,2,2-pentachloroethanol?
The InChIKey is GNHASCMMTAHAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HCl5O/c3-1(4,5)2(6,7)8/h8H.
What are the key properties of 1,1,2,2,2-pentachloroethanol?
1,1,2,2,2-pentachloroethanol has a molecular weight of 218.29 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentachloroethanol is sourced from PubChem (CID 20511029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).