1,1-dichloroethene;ethene;hydrochloride

C4H7Cl3 — CID 159638814

IUPAC1,1-dichloroethene;ethene;hydrochloride
SMILESC=C.C=C(Cl)Cl.Cl
InChIInChI=1S/C2H2Cl2.C2H4.ClH/c1-2(3)4;1-2;/h1H2;1-2H2;1H
InChIKeyZTWHCQHMAJWYNK-UHFFFAOYSA-N
MW161.46 g/mol
LogP3.16
Rot. Bonds

About 1,1-dichloroethene;ethene;hydrochloride

1,1-dichloroethene;ethene;hydrochloride (PubChem CID 159638814) has the molecular formula C4H7Cl3 and a molecular weight of 161.46 g/mol. Its IUPAC name is 1,1-dichloroethene;ethene;hydrochloride.

Molecular Properties

Compound Name1,1-dichloroethene;ethene;hydrochloride
PubChem CID159638814
Molecular FormulaC4H7Cl3
Molecular Weight161.46 g/mol
Exact Mass159.96
IUPAC Name1,1-dichloroethene;ethene;hydrochloride
SMILESC=C.C=C(Cl)Cl.Cl
InChIInChI=1S/C2H2Cl2.C2H4.ClH/c1-2(3)4;1-2;/h1H2;1-2H2;1H
InChIKeyZTWHCQHMAJWYNK-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.46
LogP ≤ 53.16
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;hydrochloride?
The IUPAC name of 1,1-dichloroethene;ethene;hydrochloride (CID 159638814) is 1,1-dichloroethene;ethene;hydrochloride.
What is the SMILES notation for 1,1-dichloroethene;ethene;hydrochloride?
The canonical SMILES for 1,1-dichloroethene;ethene;hydrochloride is C=C.C=C(Cl)Cl.Cl.
What is the InChIKey of 1,1-dichloroethene;ethene;hydrochloride?
The InChIKey is ZTWHCQHMAJWYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Cl2.C2H4.ClH/c1-2(3)4;1-2;/h1H2;1-2H2;1H.
What are the key properties of 1,1-dichloroethene;ethene;hydrochloride?
1,1-dichloroethene;ethene;hydrochloride has a molecular weight of 161.46 g/mol, XLogP of 3.16, 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;hydrochloride is sourced from PubChem (CID 159638814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).