ethanol;tetrachloromethane

C3H6Cl4O — CID 23446399

IUPACethanol;tetrachloromethane
SMILESCCO.ClC(Cl)(Cl)Cl
InChIInChI=1S/C2H6O.CCl4/c1-2-3;2-1(3,4)5/h3H,2H2,1H3;
InChIKeyDZJWJRJZYLYBBD-UHFFFAOYSA-N
MW199.89 g/mol
LogP2.55
Rot. Bonds

About ethanol;tetrachloromethane

ethanol;tetrachloromethane (PubChem CID 23446399) has the molecular formula C3H6Cl4O and a molecular weight of 199.89 g/mol. Its IUPAC name is ethanol;tetrachloromethane.

Molecular Properties

Compound Nameethanol;tetrachloromethane
PubChem CID23446399
Molecular FormulaC3H6Cl4O
Molecular Weight199.89 g/mol
Exact Mass197.92
IUPAC Nameethanol;tetrachloromethane
SMILESCCO.ClC(Cl)(Cl)Cl
InChIInChI=1S/C2H6O.CCl4/c1-2-3;2-1(3,4)5/h3H,2H2,1H3;
InChIKeyDZJWJRJZYLYBBD-UHFFFAOYSA-N
XLogP2.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.89
LogP ≤ 52.55
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 ethanol;tetrachloromethane?
The IUPAC name of ethanol;tetrachloromethane (CID 23446399) is ethanol;tetrachloromethane.
What is the SMILES notation for ethanol;tetrachloromethane?
The canonical SMILES for ethanol;tetrachloromethane is CCO.ClC(Cl)(Cl)Cl.
What is the InChIKey of ethanol;tetrachloromethane?
The InChIKey is DZJWJRJZYLYBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.CCl4/c1-2-3;2-1(3,4)5/h3H,2H2,1H3;.
What are the key properties of ethanol;tetrachloromethane?
ethanol;tetrachloromethane has a molecular weight of 199.89 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;tetrachloromethane is sourced from PubChem (CID 23446399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).