potassium;2,2,2-trichloroethanol;chloride

C2H3Cl4KO — CID 18183728

IUPACpotassium;2,2,2-trichloroethanol;chloride
SMILESOCC(Cl)(Cl)Cl.[Cl-].[K+]
InChIInChI=1S/C2H3Cl3O.ClH.K/c3-2(4,5)1-6;;/h6H,1H2;1H;/q;;+1/p-1
InChIKeyWAAMXCHNSUOCKH-UHFFFAOYSA-M
MW223.95 g/mol
LogP-4.64
Rot. Bonds

About potassium;2,2,2-trichloroethanol;chloride

potassium;2,2,2-trichloroethanol;chloride (PubChem CID 18183728) has the molecular formula C2H3Cl4KO and a molecular weight of 223.95 g/mol. Its IUPAC name is potassium;2,2,2-trichloroethanol;chloride.

Molecular Properties

Compound Namepotassium;2,2,2-trichloroethanol;chloride
PubChem CID18183728
Molecular FormulaC2H3Cl4KO
Molecular Weight223.95 g/mol
Exact Mass221.86
IUPAC Namepotassium;2,2,2-trichloroethanol;chloride
SMILESOCC(Cl)(Cl)Cl.[Cl-].[K+]
InChIInChI=1S/C2H3Cl3O.ClH.K/c3-2(4,5)1-6;;/h6H,1H2;1H;/q;;+1/p-1
InChIKeyWAAMXCHNSUOCKH-UHFFFAOYSA-M
XLogP-4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.95
LogP ≤ 5-4.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;2,2,2-trichloroethanol;chloride?
The IUPAC name of potassium;2,2,2-trichloroethanol;chloride (CID 18183728) is potassium;2,2,2-trichloroethanol;chloride.
What is the SMILES notation for potassium;2,2,2-trichloroethanol;chloride?
The canonical SMILES for potassium;2,2,2-trichloroethanol;chloride is OCC(Cl)(Cl)Cl.[Cl-].[K+].
What is the InChIKey of potassium;2,2,2-trichloroethanol;chloride?
The InChIKey is WAAMXCHNSUOCKH-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H3Cl3O.ClH.K/c3-2(4,5)1-6;;/h6H,1H2;1H;/q;;+1/p-1.
What are the key properties of potassium;2,2,2-trichloroethanol;chloride?
potassium;2,2,2-trichloroethanol;chloride has a molecular weight of 223.95 g/mol, XLogP of -4.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2,2,2-trichloroethanol;chloride is sourced from PubChem (CID 18183728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).