1,2,3-trichloro-1-(chloromethoxy)propane

C4H6Cl4O — CID 88829524

IUPAC1,2,3-trichloro-1-(chloromethoxy)propane
SMILESClCOC(Cl)C(Cl)CCl
InChIInChI=1S/C4H6Cl4O/c5-1-3(7)4(8)9-2-6/h3-4H,1-2H2
InChIKeyHIMWEGCQJZRUMB-UHFFFAOYSA-N
MW211.90 g/mol
LogP2.61
Rot. Bonds4

About 1,2,3-trichloro-1-(chloromethoxy)propane

1,2,3-trichloro-1-(chloromethoxy)propane (PubChem CID 88829524) has the molecular formula C4H6Cl4O and a molecular weight of 211.90 g/mol. Its IUPAC name is 1,2,3-trichloro-1-(chloromethoxy)propane.

Molecular Properties

Compound Name1,2,3-trichloro-1-(chloromethoxy)propane
PubChem CID88829524
Molecular FormulaC4H6Cl4O
Molecular Weight211.90 g/mol
Exact Mass209.92
IUPAC Name1,2,3-trichloro-1-(chloromethoxy)propane
SMILESClCOC(Cl)C(Cl)CCl
InChIInChI=1S/C4H6Cl4O/c5-1-3(7)4(8)9-2-6/h3-4H,1-2H2
InChIKeyHIMWEGCQJZRUMB-UHFFFAOYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.90
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4-tetrachlorobutane
CID 155672172
2,3,4-trichlorobutane-1,1-diol
CID 118276207
1,2,3,4-tetrachloropentane
CID 14572537
tris(2,3-dichloro-1-iodopropyl) phosphate
CID 89422523
ethoxyethane;1,2,3-trichlorohexane
CID 89439403
1,2-dichloroethoxyalumane
CID 173200961
1,1,2,2,3,4,5-heptachloropentane
CID 174383953
1-(chloromethoxy)-N,N-dimethylethanamine
CID 59015298
1,2,3-trichloropropane;hydrate
CID 172556253
2-(chloromethoxy)-1,1,1-trifluoropropane
CID 55303779
2-(chloromethoxy)-1-methoxypropane
CID 79529090
3,4,5-trichloropentanoic acid
CID 56627751

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trichloro-1-(chloromethoxy)propane?
The IUPAC name of 1,2,3-trichloro-1-(chloromethoxy)propane (CID 88829524) is 1,2,3-trichloro-1-(chloromethoxy)propane.
What is the SMILES notation for 1,2,3-trichloro-1-(chloromethoxy)propane?
The canonical SMILES for 1,2,3-trichloro-1-(chloromethoxy)propane is ClCOC(Cl)C(Cl)CCl.
What is the InChIKey of 1,2,3-trichloro-1-(chloromethoxy)propane?
The InChIKey is HIMWEGCQJZRUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl4O/c5-1-3(7)4(8)9-2-6/h3-4H,1-2H2.
What are the key properties of 1,2,3-trichloro-1-(chloromethoxy)propane?
1,2,3-trichloro-1-(chloromethoxy)propane has a molecular weight of 211.90 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trichloro-1-(chloromethoxy)propane is sourced from PubChem (CID 88829524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).