ethene;1,1,1-trichloroethane

C6H11Cl3 — CID 87766075

IUPACethene;1,1,1-trichloroethane
SMILESC=C.C=C.CC(Cl)(Cl)Cl
InChIInChI=1S/C2H3Cl3.2C2H4/c1-2(3,4)5;2*1-2/h1H3;2*1-2H2
InChIKeyYAJFUGISHXEXQQ-UHFFFAOYSA-N
MW189.51 g/mol
LogP3.98
Rot. Bonds

About ethene;1,1,1-trichloroethane

ethene;1,1,1-trichloroethane (PubChem CID 87766075) has the molecular formula C6H11Cl3 and a molecular weight of 189.51 g/mol. Its IUPAC name is ethene;1,1,1-trichloroethane.

Molecular Properties

Compound Nameethene;1,1,1-trichloroethane
PubChem CID87766075
Molecular FormulaC6H11Cl3
Molecular Weight189.51 g/mol
Exact Mass187.99
IUPAC Nameethene;1,1,1-trichloroethane
SMILESC=C.C=C.CC(Cl)(Cl)Cl
InChIInChI=1S/C2H3Cl3.2C2H4/c1-2(3,4)5;2*1-2/h1H3;2*1-2H2
InChIKeyYAJFUGISHXEXQQ-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.51
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-Dichloroethene;ethene
CID 23453294
Ethene;1,1,1-trichloroethane
CID 88641336
1,1-Dichloroethane;ethene
CID 141088547
1,1-Dichloroethene;ethene;hydrochloride
CID 159638814
1,1-Dichloroethene;ethane
CID 163745856
Ethene;1,1,1-trichloroethane;trihydrochloride
CID 172686096
1,1-Dichloroethene;ethene;trihydrochloride
CID 174533171

Frequently Asked Questions

What is the IUPAC name of ethene;1,1,1-trichloroethane?
The IUPAC name of ethene;1,1,1-trichloroethane (CID 87766075) is ethene;1,1,1-trichloroethane.
What is the SMILES notation for ethene;1,1,1-trichloroethane?
The canonical SMILES for ethene;1,1,1-trichloroethane is C=C.C=C.CC(Cl)(Cl)Cl.
What is the InChIKey of ethene;1,1,1-trichloroethane?
The InChIKey is YAJFUGISHXEXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Cl3.2C2H4/c1-2(3,4)5;2*1-2/h1H3;2*1-2H2.
What are the key properties of ethene;1,1,1-trichloroethane?
ethene;1,1,1-trichloroethane has a molecular weight of 189.51 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1,1,1-trichloroethane is sourced from PubChem (CID 87766075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).