1-chloro-2,3-bis(2-chloroethoxy)propane

C7H13Cl3O2 — CID 56630886

IUPAC1-chloro-2,3-bis(2-chloroethoxy)propane
SMILESClCCOCC(CCl)OCCCl
InChIInChI=1S/C7H13Cl3O2/c8-1-3-11-6-7(5-10)12-4-2-9/h7H,1-6H2
InChIKeyBZHXKYFTWJAWCM-UHFFFAOYSA-N
MW235.54 g/mol
LogP2.10
Rot. Bonds8

About 1-chloro-2,3-bis(2-chloroethoxy)propane

1-chloro-2,3-bis(2-chloroethoxy)propane (PubChem CID 56630886) has the molecular formula C7H13Cl3O2 and a molecular weight of 235.54 g/mol. Its IUPAC name is 1-chloro-2,3-bis(2-chloroethoxy)propane.

Molecular Properties

Compound Name1-chloro-2,3-bis(2-chloroethoxy)propane
PubChem CID56630886
Molecular FormulaC7H13Cl3O2
Molecular Weight235.54 g/mol
Exact Mass234.00
IUPAC Name1-chloro-2,3-bis(2-chloroethoxy)propane
SMILESClCCOCC(CCl)OCCCl
InChIInChI=1S/C7H13Cl3O2/c8-1-3-11-6-7(5-10)12-4-2-9/h7H,1-6H2
InChIKeyBZHXKYFTWJAWCM-UHFFFAOYSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.54
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(2-chloroethoxy)propane
CID 154131394
(2S)-1-chloro-2-(2-chloroethoxy)decane
CID 98152177
2-[2,2-bis(2-chloroethoxy)ethoxy]-1,1-bis(2-chloroethoxy)ethane
CID 87064578
1-[3-[2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propoxy]-2,3-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]propane;2-[2-[2-[3-[3-[2,3-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethanol;thionyl dichloride
CID 159898077
1-chloro-2-(difluoromethoxy)ethane
CID 88775402
2-chloro-1-(2-chloroethoxy)propane
CID 3392808
1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 13072765
1-chloro-2-(2-chloroethoxy)ethane;dichloromethane
CID 174956973
1-chloro-2-(chloromethoxy)-3-prop-2-enoxypropane
CID 15277569
1-chloro-2-[2-(2-chloroethoxy)ethoxy]ethanol
CID 175056400
3-(1-chloro-3-octoxypropan-2-yl)oxypropane-1,2-diol
CID 86111870
2-(2-chloroethoxy)-1-[2-[2-(2-chloroethoxy)propoxy]propoxy]propane
CID 71321218

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3-bis(2-chloroethoxy)propane?
The IUPAC name of 1-chloro-2,3-bis(2-chloroethoxy)propane (CID 56630886) is 1-chloro-2,3-bis(2-chloroethoxy)propane.
What is the SMILES notation for 1-chloro-2,3-bis(2-chloroethoxy)propane?
The canonical SMILES for 1-chloro-2,3-bis(2-chloroethoxy)propane is ClCCOCC(CCl)OCCCl.
What is the InChIKey of 1-chloro-2,3-bis(2-chloroethoxy)propane?
The InChIKey is BZHXKYFTWJAWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl3O2/c8-1-3-11-6-7(5-10)12-4-2-9/h7H,1-6H2.
What are the key properties of 1-chloro-2,3-bis(2-chloroethoxy)propane?
1-chloro-2,3-bis(2-chloroethoxy)propane has a molecular weight of 235.54 g/mol, XLogP of 2.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3-bis(2-chloroethoxy)propane is sourced from PubChem (CID 56630886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).