2-bromo-1,1-dichloroethene;hydrochloride

C2H2BrCl3 — CID 174707221

IUPAC2-bromo-1,1-dichloroethene;hydrochloride
SMILESCl.ClC(Cl)=CBr
InChIInChI=1S/C2HBrCl2.ClH/c3-1-2(4)5;/h1H;1H
InChIKeyNAYFNSCBJQYZKA-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.08
Rot. Bonds

About 2-bromo-1,1-dichloroethene;hydrochloride

2-bromo-1,1-dichloroethene;hydrochloride (PubChem CID 174707221) has the molecular formula C2H2BrCl3 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-bromo-1,1-dichloroethene;hydrochloride.

Molecular Properties

Compound Name2-bromo-1,1-dichloroethene;hydrochloride
PubChem CID174707221
Molecular FormulaC2H2BrCl3
Molecular Weight212.30 g/mol
Exact Mass209.84
IUPAC Name2-bromo-1,1-dichloroethene;hydrochloride
SMILESCl.ClC(Cl)=CBr
InChIInChI=1S/C2HBrCl2.ClH/c3-1-2(4)5;/h1H;1H
InChIKeyNAYFNSCBJQYZKA-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,1-dichloroethene;hydrochloride?
The IUPAC name of 2-bromo-1,1-dichloroethene;hydrochloride (CID 174707221) is 2-bromo-1,1-dichloroethene;hydrochloride.
What is the SMILES notation for 2-bromo-1,1-dichloroethene;hydrochloride?
The canonical SMILES for 2-bromo-1,1-dichloroethene;hydrochloride is Cl.ClC(Cl)=CBr.
What is the InChIKey of 2-bromo-1,1-dichloroethene;hydrochloride?
The InChIKey is NAYFNSCBJQYZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HBrCl2.ClH/c3-1-2(4)5;/h1H;1H.
What are the key properties of 2-bromo-1,1-dichloroethene;hydrochloride?
2-bromo-1,1-dichloroethene;hydrochloride has a molecular weight of 212.30 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1-dichloroethene;hydrochloride is sourced from PubChem (CID 174707221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).