chloroform;2,2,2-trichloroethanol

C3H4Cl6O — CID 19080013

IUPACchloroform;2,2,2-trichloroethanol
SMILESClC(Cl)Cl.OCC(Cl)(Cl)Cl
InChIInChI=1S/C2H3Cl3O.CHCl3/c3-2(4,5)1-6;2-1(3)4/h6H,1H2;1H
InChIKeyOTBMSKOMWUUUKS-UHFFFAOYSA-N
MW268.78 g/mol
LogP3.34
Rot. Bonds

About chloroform;2,2,2-trichloroethanol

chloroform;2,2,2-trichloroethanol (PubChem CID 19080013) has the molecular formula C3H4Cl6O and a molecular weight of 268.78 g/mol. Its IUPAC name is chloroform;2,2,2-trichloroethanol.

Molecular Properties

Compound Namechloroform;2,2,2-trichloroethanol
PubChem CID19080013
Molecular FormulaC3H4Cl6O
Molecular Weight268.78 g/mol
Exact Mass265.84
IUPAC Namechloroform;2,2,2-trichloroethanol
SMILESClC(Cl)Cl.OCC(Cl)(Cl)Cl
InChIInChI=1S/C2H3Cl3O.CHCl3/c3-2(4,5)1-6;2-1(3)4/h6H,1H2;1H
InChIKeyOTBMSKOMWUUUKS-UHFFFAOYSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 53.34
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 chloroform;2,2,2-trichloroethanol?
The IUPAC name of chloroform;2,2,2-trichloroethanol (CID 19080013) is chloroform;2,2,2-trichloroethanol.
What is the SMILES notation for chloroform;2,2,2-trichloroethanol?
The canonical SMILES for chloroform;2,2,2-trichloroethanol is ClC(Cl)Cl.OCC(Cl)(Cl)Cl.
What is the InChIKey of chloroform;2,2,2-trichloroethanol?
The InChIKey is OTBMSKOMWUUUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Cl3O.CHCl3/c3-2(4,5)1-6;2-1(3)4/h6H,1H2;1H.
What are the key properties of chloroform;2,2,2-trichloroethanol?
chloroform;2,2,2-trichloroethanol has a molecular weight of 268.78 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;2,2,2-trichloroethanol is sourced from PubChem (CID 19080013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).