methane;bis(2,2,2-trichloroacetaldehyde)

C5H6Cl6O2 — CID 160791361

IUPACmethane;bis(2,2,2-trichloroacetaldehyde)
SMILESC.O=CC(Cl)(Cl)Cl.O=CC(Cl)(Cl)Cl
InChIInChI=1S/2C2HCl3O.CH4/c2*3-2(4,5)1-6;/h2*1H;1H4
InChIKeySBWCLVDDUHHDOZ-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.75
Rot. Bonds

About methane;bis(2,2,2-trichloroacetaldehyde)

methane;bis(2,2,2-trichloroacetaldehyde) (PubChem CID 160791361) has the molecular formula C5H6Cl6O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is methane;bis(2,2,2-trichloroacetaldehyde).

Molecular Properties

Compound Namemethane;bis(2,2,2-trichloroacetaldehyde)
PubChem CID160791361
Molecular FormulaC5H6Cl6O2
Molecular Weight310.82 g/mol
Exact Mass307.85
IUPAC Namemethane;bis(2,2,2-trichloroacetaldehyde)
SMILESC.O=CC(Cl)(Cl)Cl.O=CC(Cl)(Cl)Cl
InChIInChI=1S/2C2HCl3O.CH4/c2*3-2(4,5)1-6;/h2*1H;1H4
InChIKeySBWCLVDDUHHDOZ-UHFFFAOYSA-N
XLogP3.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methane;bis(2,2,2-trichloroacetaldehyde) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methane;bis(2,2,2-trichloroacetaldehyde)?
The IUPAC name of methane;bis(2,2,2-trichloroacetaldehyde) (CID 160791361) is methane;bis(2,2,2-trichloroacetaldehyde).
What is the SMILES notation for methane;bis(2,2,2-trichloroacetaldehyde)?
The canonical SMILES for methane;bis(2,2,2-trichloroacetaldehyde) is C.O=CC(Cl)(Cl)Cl.O=CC(Cl)(Cl)Cl.
What is the InChIKey of methane;bis(2,2,2-trichloroacetaldehyde)?
The InChIKey is SBWCLVDDUHHDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2HCl3O.CH4/c2*3-2(4,5)1-6;/h2*1H;1H4.
What are the key properties of methane;bis(2,2,2-trichloroacetaldehyde)?
methane;bis(2,2,2-trichloroacetaldehyde) has a molecular weight of 310.82 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(2,2,2-trichloroacetaldehyde) is sourced from PubChem (CID 160791361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).