1,2-dichloroethane;hydrochloride

C2H5Cl3 — CID 22619321

IUPAC1,2-dichloroethane;hydrochloride
SMILESCl.ClCCCl
InChIInChI=1S/C2H4Cl2.ClH/c3-1-2-4;/h1-2H2;1H
InChIKeyINLSCIDXDUXGTI-UHFFFAOYSA-N
MW135.42 g/mol
LogP1.89
Rot. Bonds1

About 1,2-dichloroethane;hydrochloride

1,2-dichloroethane;hydrochloride (PubChem CID 22619321) has the molecular formula C2H5Cl3 and a molecular weight of 135.42 g/mol. Its IUPAC name is 1,2-dichloroethane;hydrochloride.

Molecular Properties

Compound Name1,2-dichloroethane;hydrochloride
PubChem CID22619321
Molecular FormulaC2H5Cl3
Molecular Weight135.42 g/mol
Exact Mass133.95
IUPAC Name1,2-dichloroethane;hydrochloride
SMILESCl.ClCCCl
InChIInChI=1S/C2H4Cl2.ClH/c3-1-2-4;/h1-2H2;1H
InChIKeyINLSCIDXDUXGTI-UHFFFAOYSA-N
XLogP1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.42
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloroethane;hydrochloride?
The IUPAC name of 1,2-dichloroethane;hydrochloride (CID 22619321) is 1,2-dichloroethane;hydrochloride.
What is the SMILES notation for 1,2-dichloroethane;hydrochloride?
The canonical SMILES for 1,2-dichloroethane;hydrochloride is Cl.ClCCCl.
What is the InChIKey of 1,2-dichloroethane;hydrochloride?
The InChIKey is INLSCIDXDUXGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl2.ClH/c3-1-2-4;/h1-2H2;1H.
What are the key properties of 1,2-dichloroethane;hydrochloride?
1,2-dichloroethane;hydrochloride has a molecular weight of 135.42 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloroethane;hydrochloride is sourced from PubChem (CID 22619321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).