ethene;1,1,1-trichloroethane;trihydrochloride

C4H10Cl6 — CID 172686096

IUPACethene;1,1,1-trichloroethane;trihydrochloride
SMILESC=C.CC(Cl)(Cl)Cl.Cl.Cl.Cl
InChIInChI=1S/C2H3Cl3.C2H4.3ClH/c1-2(3,4)5;1-2;;;/h1H3;1-2H2;3*1H
InChIKeyBBCIHHWGJRCAAI-UHFFFAOYSA-N
MW270.84 g/mol
LogP4.44
Rot. Bonds

About ethene;1,1,1-trichloroethane;trihydrochloride

ethene;1,1,1-trichloroethane;trihydrochloride (PubChem CID 172686096) has the molecular formula C4H10Cl6 and a molecular weight of 270.84 g/mol. Its IUPAC name is ethene;1,1,1-trichloroethane;trihydrochloride.

Molecular Properties

Compound Nameethene;1,1,1-trichloroethane;trihydrochloride
PubChem CID172686096
Molecular FormulaC4H10Cl6
Molecular Weight270.84 g/mol
Exact Mass267.89
IUPAC Nameethene;1,1,1-trichloroethane;trihydrochloride
SMILESC=C.CC(Cl)(Cl)Cl.Cl.Cl.Cl
InChIInChI=1S/C2H3Cl3.C2H4.3ClH/c1-2(3,4)5;1-2;;;/h1H3;1-2H2;3*1H
InChIKeyBBCIHHWGJRCAAI-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.84
LogP ≤ 54.44
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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Frequently Asked Questions

What is the IUPAC name of ethene;1,1,1-trichloroethane;trihydrochloride?
The IUPAC name of ethene;1,1,1-trichloroethane;trihydrochloride (CID 172686096) is ethene;1,1,1-trichloroethane;trihydrochloride.
What is the SMILES notation for ethene;1,1,1-trichloroethane;trihydrochloride?
The canonical SMILES for ethene;1,1,1-trichloroethane;trihydrochloride is C=C.CC(Cl)(Cl)Cl.Cl.Cl.Cl.
What is the InChIKey of ethene;1,1,1-trichloroethane;trihydrochloride?
The InChIKey is BBCIHHWGJRCAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Cl3.C2H4.3ClH/c1-2(3,4)5;1-2;;;/h1H3;1-2H2;3*1H.
What are the key properties of ethene;1,1,1-trichloroethane;trihydrochloride?
ethene;1,1,1-trichloroethane;trihydrochloride has a molecular weight of 270.84 g/mol, XLogP of 4.44, 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;trihydrochloride is sourced from PubChem (CID 172686096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).