chloroform;ethanol;methanol;hydrate

C4H13Cl3O3 — CID 18003253

IUPACchloroform;ethanol;methanol;hydrate
SMILESCCO.CO.ClC(Cl)Cl.O
InChIInChI=1S/C2H6O.CHCl3.CH4O.H2O/c1-2-3;2-1(3)4;1-2;/h3H,2H2,1H3;1H;2H,1H3;1H2
InChIKeyQFDRKNYLQVKPEE-UHFFFAOYSA-N
MW215.50 g/mol
LogP0.77
Rot. Bonds

About chloroform;ethanol;methanol;hydrate

chloroform;ethanol;methanol;hydrate (PubChem CID 18003253) has the molecular formula C4H13Cl3O3 and a molecular weight of 215.50 g/mol. Its IUPAC name is chloroform;ethanol;methanol;hydrate.

Molecular Properties

Compound Namechloroform;ethanol;methanol;hydrate
PubChem CID18003253
Molecular FormulaC4H13Cl3O3
Molecular Weight215.50 g/mol
Exact Mass213.99
IUPAC Namechloroform;ethanol;methanol;hydrate
SMILESCCO.CO.ClC(Cl)Cl.O
InChIInChI=1S/C2H6O.CHCl3.CH4O.H2O/c1-2-3;2-1(3)4;1-2;/h3H,2H2,1H3;1H;2H,1H3;1H2
InChIKeyQFDRKNYLQVKPEE-UHFFFAOYSA-N
XLogP0.77
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.50
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of chloroform;ethanol;methanol;hydrate?
The IUPAC name of chloroform;ethanol;methanol;hydrate (CID 18003253) is chloroform;ethanol;methanol;hydrate.
What is the SMILES notation for chloroform;ethanol;methanol;hydrate?
The canonical SMILES for chloroform;ethanol;methanol;hydrate is CCO.CO.ClC(Cl)Cl.O.
What is the InChIKey of chloroform;ethanol;methanol;hydrate?
The InChIKey is QFDRKNYLQVKPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.CHCl3.CH4O.H2O/c1-2-3;2-1(3)4;1-2;/h3H,2H2,1H3;1H;2H,1H3;1H2.
What are the key properties of chloroform;ethanol;methanol;hydrate?
chloroform;ethanol;methanol;hydrate has a molecular weight of 215.50 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;ethanol;methanol;hydrate is sourced from PubChem (CID 18003253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).