chloroform;ethane;2,2,2-trichloroacetaldehyde;hydrochloride

C5H9Cl7O — CID 173302493

IUPACchloroform;ethane;2,2,2-trichloroacetaldehyde;hydrochloride
SMILESCC.Cl.ClC(Cl)Cl.O=CC(Cl)(Cl)Cl
InChIInChI=1S/C2HCl3O.C2H6.CHCl3.ClH/c3-2(4,5)1-6;1-2;2-1(3)4;/h1H;1-2H3;1H;1H
InChIKeyQAAKZTSWDNRKGF-UHFFFAOYSA-N
MW333.30 g/mol
LogP4.99
Rot. Bonds

About chloroform;ethane;2,2,2-trichloroacetaldehyde;hydrochloride

chloroform;ethane;2,2,2-trichloroacetaldehyde;hydrochloride (PubChem CID 173302493) has the molecular formula C5H9Cl7O and a molecular weight of 333.30 g/mol. Its IUPAC name is chloroform;ethane;2,2,2-trichloroacetaldehyde;hydrochloride.

Molecular Properties

Compound Namechloroform;ethane;2,2,2-trichloroacetaldehyde;hydrochloride
PubChem CID173302493
Molecular FormulaC5H9Cl7O
Molecular Weight333.30 g/mol
Exact Mass329.85
IUPAC Namechloroform;ethane;2,2,2-trichloroacetaldehyde;hydrochloride
SMILESCC.Cl.ClC(Cl)Cl.O=CC(Cl)(Cl)Cl
InChIInChI=1S/C2HCl3O.C2H6.CHCl3.ClH/c3-2(4,5)1-6;1-2;2-1(3)4;/h1H;1-2H3;1H;1H
InChIKeyQAAKZTSWDNRKGF-UHFFFAOYSA-N
XLogP4.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Butane;2,2-dichloroacetaldehyde
CID 88501996
Pentane;2,2,2-trichloroacetaldehyde
CID 158785444
2,2,2-Trichloroacetaldehyde;1,1,1-trichloroethane
CID 159978604
Methane;bis(2,2,2-trichloroacetaldehyde)
CID 160791361
Chloroform;propan-2-one;2,2,2-trichloroacetaldehyde
CID 160850226
Acetaldehyde;1,1-dichloroethane
CID 162012044

Frequently Asked Questions

What is the IUPAC name of chloroform;ethane;2,2,2-trichloroacetaldehyde;hydrochloride?
The IUPAC name of chloroform;ethane;2,2,2-trichloroacetaldehyde;hydrochloride (CID 173302493) is chloroform;ethane;2,2,2-trichloroacetaldehyde;hydrochloride.
What is the SMILES notation for chloroform;ethane;2,2,2-trichloroacetaldehyde;hydrochloride?
The canonical SMILES for chloroform;ethane;2,2,2-trichloroacetaldehyde;hydrochloride is CC.Cl.ClC(Cl)Cl.O=CC(Cl)(Cl)Cl.
What is the InChIKey of chloroform;ethane;2,2,2-trichloroacetaldehyde;hydrochloride?
The InChIKey is QAAKZTSWDNRKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HCl3O.C2H6.CHCl3.ClH/c3-2(4,5)1-6;1-2;2-1(3)4;/h1H;1-2H3;1H;1H.
What are the key properties of chloroform;ethane;2,2,2-trichloroacetaldehyde;hydrochloride?
chloroform;ethane;2,2,2-trichloroacetaldehyde;hydrochloride has a molecular weight of 333.30 g/mol, XLogP of 4.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;ethane;2,2,2-trichloroacetaldehyde;hydrochloride is sourced from PubChem (CID 173302493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).