azane;2-bromo-1,1-dichloroethane

C2H6BrCl2N — CID 174995593

IUPACazane;2-bromo-1,1-dichloroethane
SMILESClC(Cl)CBr.N
InChIInChI=1S/C2H3BrCl2.H3N/c3-1-2(4)5;/h2H,1H2;1H3
InChIKeyOKULVWARMJIKRK-UHFFFAOYSA-N
MW194.89 g/mol
LogP2.35
Rot. Bonds1

About azane;2-bromo-1,1-dichloroethane

azane;2-bromo-1,1-dichloroethane (PubChem CID 174995593) has the molecular formula C2H6BrCl2N and a molecular weight of 194.89 g/mol. Its IUPAC name is azane;2-bromo-1,1-dichloroethane.

Molecular Properties

Compound Nameazane;2-bromo-1,1-dichloroethane
PubChem CID174995593
Molecular FormulaC2H6BrCl2N
Molecular Weight194.89 g/mol
Exact Mass192.91
IUPAC Nameazane;2-bromo-1,1-dichloroethane
SMILESClC(Cl)CBr.N
InChIInChI=1S/C2H3BrCl2.H3N/c3-1-2(4)5;/h2H,1H2;1H3
InChIKeyOKULVWARMJIKRK-UHFFFAOYSA-N
XLogP2.35
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.89
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 azane;2-bromo-1,1-dichloroethane?
The IUPAC name of azane;2-bromo-1,1-dichloroethane (CID 174995593) is azane;2-bromo-1,1-dichloroethane.
What is the SMILES notation for azane;2-bromo-1,1-dichloroethane?
The canonical SMILES for azane;2-bromo-1,1-dichloroethane is ClC(Cl)CBr.N.
What is the InChIKey of azane;2-bromo-1,1-dichloroethane?
The InChIKey is OKULVWARMJIKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3BrCl2.H3N/c3-1-2(4)5;/h2H,1H2;1H3.
What are the key properties of azane;2-bromo-1,1-dichloroethane?
azane;2-bromo-1,1-dichloroethane has a molecular weight of 194.89 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-bromo-1,1-dichloroethane is sourced from PubChem (CID 174995593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).