bromoethane;1,2-dichloroethane

C4H9BrCl2 — CID 158517593

IUPACbromoethane;1,2-dichloroethane
SMILESCCBr.ClCCCl
InChIInChI=1S/C2H5Br.C2H4Cl2/c1-2-3;3-1-2-4/h2H2,1H3;1-2H2
InChIKeyHLUYDDFXFAFWKS-UHFFFAOYSA-N
MW207.93 g/mol
LogP2.87
Rot. Bonds1

About bromoethane;1,2-dichloroethane

bromoethane;1,2-dichloroethane (PubChem CID 158517593) has the molecular formula C4H9BrCl2 and a molecular weight of 207.93 g/mol. Its IUPAC name is bromoethane;1,2-dichloroethane.

Molecular Properties

Compound Namebromoethane;1,2-dichloroethane
PubChem CID158517593
Molecular FormulaC4H9BrCl2
Molecular Weight207.93 g/mol
Exact Mass205.93
IUPAC Namebromoethane;1,2-dichloroethane
SMILESCCBr.ClCCCl
InChIInChI=1S/C2H5Br.C2H4Cl2/c1-2-3;3-1-2-4/h2H2,1H3;1-2H2
InChIKeyHLUYDDFXFAFWKS-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.93
LogP ≤ 52.87
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 bromoethane;1,2-dichloroethane?
The IUPAC name of bromoethane;1,2-dichloroethane (CID 158517593) is bromoethane;1,2-dichloroethane.
What is the SMILES notation for bromoethane;1,2-dichloroethane?
The canonical SMILES for bromoethane;1,2-dichloroethane is CCBr.ClCCCl.
What is the InChIKey of bromoethane;1,2-dichloroethane?
The InChIKey is HLUYDDFXFAFWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5Br.C2H4Cl2/c1-2-3;3-1-2-4/h2H2,1H3;1-2H2.
What are the key properties of bromoethane;1,2-dichloroethane?
bromoethane;1,2-dichloroethane has a molecular weight of 207.93 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromoethane;1,2-dichloroethane is sourced from PubChem (CID 158517593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).