chloroethene;1,1-dichloroethene;hydrochloride

C6H9Cl5 — CID 172822334

IUPACchloroethene;1,1-dichloroethene;hydrochloride
SMILESC=C(Cl)Cl.C=CCl.C=CCl.Cl
InChIInChI=1S/C2H2Cl2.2C2H3Cl.ClH/c1-2(3)4;2*1-2-3;/h1H2;2*2H,1H2;1H
InChIKeyUJWJBDDYXOUCBL-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.09
Rot. Bonds

About chloroethene;1,1-dichloroethene;hydrochloride

chloroethene;1,1-dichloroethene;hydrochloride (PubChem CID 172822334) has the molecular formula C6H9Cl5 and a molecular weight of 258.40 g/mol. Its IUPAC name is chloroethene;1,1-dichloroethene;hydrochloride.

Molecular Properties

Compound Namechloroethene;1,1-dichloroethene;hydrochloride
PubChem CID172822334
Molecular FormulaC6H9Cl5
Molecular Weight258.40 g/mol
Exact Mass255.91
IUPAC Namechloroethene;1,1-dichloroethene;hydrochloride
SMILESC=C(Cl)Cl.C=CCl.C=CCl.Cl
InChIInChI=1S/C2H2Cl2.2C2H3Cl.ClH/c1-2(3)4;2*1-2-3;/h1H2;2*2H,1H2;1H
InChIKeyUJWJBDDYXOUCBL-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of chloroethene;1,1-dichloroethene;hydrochloride?
The IUPAC name of chloroethene;1,1-dichloroethene;hydrochloride (CID 172822334) is chloroethene;1,1-dichloroethene;hydrochloride.
What is the SMILES notation for chloroethene;1,1-dichloroethene;hydrochloride?
The canonical SMILES for chloroethene;1,1-dichloroethene;hydrochloride is C=C(Cl)Cl.C=CCl.C=CCl.Cl.
What is the InChIKey of chloroethene;1,1-dichloroethene;hydrochloride?
The InChIKey is UJWJBDDYXOUCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Cl2.2C2H3Cl.ClH/c1-2(3)4;2*1-2-3;/h1H2;2*2H,1H2;1H.
What are the key properties of chloroethene;1,1-dichloroethene;hydrochloride?
chloroethene;1,1-dichloroethene;hydrochloride has a molecular weight of 258.40 g/mol, XLogP of 5.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethene;1,1-dichloroethene;hydrochloride is sourced from PubChem (CID 172822334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).