ethene;1,1,1-trichloroethane

C4H7Cl3 — CID 88641336

IUPACethene;1,1,1-trichloroethane
SMILESC=C.CC(Cl)(Cl)Cl
InChIInChI=1S/C2H3Cl3.C2H4/c1-2(3,4)5;1-2/h1H3;1-2H2
InChIKeyHPICUXTWDLOWQH-UHFFFAOYSA-N
MW161.46 g/mol
LogP3.18
Rot. Bonds

About ethene;1,1,1-trichloroethane

ethene;1,1,1-trichloroethane (PubChem CID 88641336) has the molecular formula C4H7Cl3 and a molecular weight of 161.46 g/mol. Its IUPAC name is ethene;1,1,1-trichloroethane.

Molecular Properties

Compound Nameethene;1,1,1-trichloroethane
PubChem CID88641336
Molecular FormulaC4H7Cl3
Molecular Weight161.46 g/mol
Exact Mass159.96
IUPAC Nameethene;1,1,1-trichloroethane
SMILESC=C.CC(Cl)(Cl)Cl
InChIInChI=1S/C2H3Cl3.C2H4/c1-2(3,4)5;1-2/h1H3;1-2H2
InChIKeyHPICUXTWDLOWQH-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
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?
The IUPAC name of ethene;1,1,1-trichloroethane (CID 88641336) 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.CC(Cl)(Cl)Cl.
What is the InChIKey of ethene;1,1,1-trichloroethane?
The InChIKey is HPICUXTWDLOWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Cl3.C2H4/c1-2(3,4)5;1-2/h1H3;1-2H2.
What are the key properties of ethene;1,1,1-trichloroethane?
ethene;1,1,1-trichloroethane has a molecular weight of 161.46 g/mol, XLogP of 3.18, 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 88641336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).