1,1-dichloroethene;ethene;trihydrochloride

C4H9Cl5 — CID 174533171

IUPAC1,1-dichloroethene;ethene;trihydrochloride
SMILESC=C.C=C(Cl)Cl.Cl.Cl.Cl
InChIInChI=1S/C2H2Cl2.C2H4.3ClH/c1-2(3)4;1-2;;;/h1H2;1-2H2;3*1H
InChIKeyKNJXBACQDZPZGS-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.00
Rot. Bonds

About 1,1-dichloroethene;ethene;trihydrochloride

1,1-dichloroethene;ethene;trihydrochloride (PubChem CID 174533171) has the molecular formula C4H9Cl5 and a molecular weight of 234.38 g/mol. Its IUPAC name is 1,1-dichloroethene;ethene;trihydrochloride.

Molecular Properties

Compound Name1,1-dichloroethene;ethene;trihydrochloride
PubChem CID174533171
Molecular FormulaC4H9Cl5
Molecular Weight234.38 g/mol
Exact Mass231.91
IUPAC Name1,1-dichloroethene;ethene;trihydrochloride
SMILESC=C.C=C(Cl)Cl.Cl.Cl.Cl
InChIInChI=1S/C2H2Cl2.C2H4.3ClH/c1-2(3)4;1-2;;;/h1H2;1-2H2;3*1H
InChIKeyKNJXBACQDZPZGS-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloroethene;ethene;trihydrochloride?
The IUPAC name of 1,1-dichloroethene;ethene;trihydrochloride (CID 174533171) is 1,1-dichloroethene;ethene;trihydrochloride.
What is the SMILES notation for 1,1-dichloroethene;ethene;trihydrochloride?
The canonical SMILES for 1,1-dichloroethene;ethene;trihydrochloride is C=C.C=C(Cl)Cl.Cl.Cl.Cl.
What is the InChIKey of 1,1-dichloroethene;ethene;trihydrochloride?
The InChIKey is KNJXBACQDZPZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Cl2.C2H4.3ClH/c1-2(3)4;1-2;;;/h1H2;1-2H2;3*1H.
What are the key properties of 1,1-dichloroethene;ethene;trihydrochloride?
1,1-dichloroethene;ethene;trihydrochloride has a molecular weight of 234.38 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloroethene;ethene;trihydrochloride is sourced from PubChem (CID 174533171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).