bis(1,1-dichloroethene);hydrochloride

C4H5Cl5 — CID 87519359

IUPACbis(1,1-dichloroethene);hydrochloride
SMILESC=C(Cl)Cl.C=C(Cl)Cl.Cl
InChIInChI=1S/2C2H2Cl2.ClH/c2*1-2(3)4;/h2*1H2;1H
InChIKeyXZRBNEOBZMFIPJ-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.29
Rot. Bonds

About bis(1,1-dichloroethene);hydrochloride

bis(1,1-dichloroethene);hydrochloride (PubChem CID 87519359) has the molecular formula C4H5Cl5 and a molecular weight of 230.35 g/mol. Its IUPAC name is bis(1,1-dichloroethene);hydrochloride.

Molecular Properties

Compound Namebis(1,1-dichloroethene);hydrochloride
PubChem CID87519359
Molecular FormulaC4H5Cl5
Molecular Weight230.35 g/mol
Exact Mass227.88
IUPAC Namebis(1,1-dichloroethene);hydrochloride
SMILESC=C(Cl)Cl.C=C(Cl)Cl.Cl
InChIInChI=1S/2C2H2Cl2.ClH/c2*1-2(3)4;/h2*1H2;1H
InChIKeyXZRBNEOBZMFIPJ-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis(1,1-dichloroethene);hydrochloride?
The IUPAC name of bis(1,1-dichloroethene);hydrochloride (CID 87519359) is bis(1,1-dichloroethene);hydrochloride.
What is the SMILES notation for bis(1,1-dichloroethene);hydrochloride?
The canonical SMILES for bis(1,1-dichloroethene);hydrochloride is C=C(Cl)Cl.C=C(Cl)Cl.Cl.
What is the InChIKey of bis(1,1-dichloroethene);hydrochloride?
The InChIKey is XZRBNEOBZMFIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H2Cl2.ClH/c2*1-2(3)4;/h2*1H2;1H.
What are the key properties of bis(1,1-dichloroethene);hydrochloride?
bis(1,1-dichloroethene);hydrochloride has a molecular weight of 230.35 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1-dichloroethene);hydrochloride is sourced from PubChem (CID 87519359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).