chloro(chloromethoxy)methane;formaldehyde

C5H10Cl4O3 — CID 174966735

IUPACchloro(chloromethoxy)methane;formaldehyde
SMILESC=O.ClCOCCl.ClCOCCl
InChIInChI=1S/2C2H4Cl2O.CH2O/c2*3-1-5-2-4;1-2/h2*1-2H2;1H2
InChIKeyNTSUZAHGKRELEU-UHFFFAOYSA-N
MW259.94 g/mol
LogP2.61
Rot. Bonds4

About chloro(chloromethoxy)methane;formaldehyde

chloro(chloromethoxy)methane;formaldehyde (PubChem CID 174966735) has the molecular formula C5H10Cl4O3 and a molecular weight of 259.94 g/mol. Its IUPAC name is chloro(chloromethoxy)methane;formaldehyde.

Molecular Properties

Compound Namechloro(chloromethoxy)methane;formaldehyde
PubChem CID174966735
Molecular FormulaC5H10Cl4O3
Molecular Weight259.94 g/mol
Exact Mass257.94
IUPAC Namechloro(chloromethoxy)methane;formaldehyde
SMILESC=O.ClCOCCl.ClCOCCl
InChIInChI=1S/2C2H4Cl2O.CH2O/c2*3-1-5-2-4;1-2/h2*1-2H2;1H2
InChIKeyNTSUZAHGKRELEU-UHFFFAOYSA-N
XLogP2.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.94
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze chloro(chloromethoxy)methane;formaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

chloromethoxy(chloromethoxymethoxy)methane
CID 22246685
formaldehyde;ruthenium
CID 158341050
tris[2-[2-[2-(chloromethoxy)ethoxy]ethoxy]ethyl] phosphate
CID 102315905
ethoxyethane;formaldehyde
CID 174286087
chloromethoxymethyl(hydroxy)silane
CID 123381312
N-(chloromethoxy)nitrous amide
CID 90685769
(E)-1-(chloromethoxy)hex-2-ene
CID 11499241
3-(chloromethoxy)propan-1-amine
CID 139894761
1-[chloromethoxymethyl(ethoxy)phosphoryl]oxyethane
CID 14258001
3-(chloromethoxy)-1,1-dinitropropane
CID 57257296
2-(chloromethoxy)-1-fluoro-1,1-dinitroethane
CID 12507561
chloromethoxymethanol;sulfanylmethoxymethanol
CID 157258379

Frequently Asked Questions

What is the IUPAC name of chloro(chloromethoxy)methane;formaldehyde?
The IUPAC name of chloro(chloromethoxy)methane;formaldehyde (CID 174966735) is chloro(chloromethoxy)methane;formaldehyde.
What is the SMILES notation for chloro(chloromethoxy)methane;formaldehyde?
The canonical SMILES for chloro(chloromethoxy)methane;formaldehyde is C=O.ClCOCCl.ClCOCCl.
What is the InChIKey of chloro(chloromethoxy)methane;formaldehyde?
The InChIKey is NTSUZAHGKRELEU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H4Cl2O.CH2O/c2*3-1-5-2-4;1-2/h2*1-2H2;1H2.
What are the key properties of chloro(chloromethoxy)methane;formaldehyde?
chloro(chloromethoxy)methane;formaldehyde has a molecular weight of 259.94 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(chloromethoxy)methane;formaldehyde is sourced from PubChem (CID 174966735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).