trideuterio(deuteriooxy)methane;dihydrochloride

CH6Cl2O — CID 142299195

IUPACtrideuterio(deuteriooxy)methane;dihydrochloride
SMILESCl.Cl.[2H]OC([2H])([2H])[2H]
InChIInChI=1S/CH4O.2ClH/c1-2;;/h2H,1H3;2*1H/i1D3,2D;;
InChIKeyWKWAVURMIFLVLL-XJBYEJGDSA-N
MW108.99 g/mol
LogP0.45
Rot. Bonds1

About trideuterio(deuteriooxy)methane;dihydrochloride

trideuterio(deuteriooxy)methane;dihydrochloride (PubChem CID 142299195) has the molecular formula CH6Cl2O and a molecular weight of 108.99 g/mol. Its IUPAC name is trideuterio(deuteriooxy)methane;dihydrochloride.

Molecular Properties

Compound Nametrideuterio(deuteriooxy)methane;dihydrochloride
PubChem CID142299195
Molecular FormulaCH6Cl2O
Molecular Weight108.99 g/mol
Exact Mass108.00
IUPAC Nametrideuterio(deuteriooxy)methane;dihydrochloride
SMILESCl.Cl.[2H]OC([2H])([2H])[2H]
InChIInChI=1S/CH4O.2ClH/c1-2;;/h2H,1H3;2*1H/i1D3,2D;;
InChIKeyWKWAVURMIFLVLL-XJBYEJGDSA-N
XLogP0.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.99
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze trideuterio(deuteriooxy)methane;dihydrochloride 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 trideuterio(deuteriooxy)methane;dihydrochloride?
The IUPAC name of trideuterio(deuteriooxy)methane;dihydrochloride (CID 142299195) is trideuterio(deuteriooxy)methane;dihydrochloride.
What is the SMILES notation for trideuterio(deuteriooxy)methane;dihydrochloride?
The canonical SMILES for trideuterio(deuteriooxy)methane;dihydrochloride is Cl.Cl.[2H]OC([2H])([2H])[2H].
What is the InChIKey of trideuterio(deuteriooxy)methane;dihydrochloride?
The InChIKey is WKWAVURMIFLVLL-XJBYEJGDSA-N. The full InChI is InChI=1S/CH4O.2ClH/c1-2;;/h2H,1H3;2*1H/i1D3,2D;;.
What are the key properties of trideuterio(deuteriooxy)methane;dihydrochloride?
trideuterio(deuteriooxy)methane;dihydrochloride has a molecular weight of 108.99 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trideuterio(deuteriooxy)methane;dihydrochloride is sourced from PubChem (CID 142299195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).