1,1,2-trichloro-2-ethenylcyclopropane

C5H5Cl3 — CID 14299769

IUPAC1,1,2-trichloro-2-ethenylcyclopropane
SMILESC=CC1(Cl)CC1(Cl)Cl
InChIInChI=1S/C5H5Cl3/c1-2-4(6)3-5(4,7)8/h2H,1,3H2
InChIKeyQGXOFXDDCJPXOD-UHFFFAOYSA-N
MW171.45 g/mol
LogP2.73
Rot. Bonds1

About 1,1,2-trichloro-2-ethenylcyclopropane

1,1,2-trichloro-2-ethenylcyclopropane (PubChem CID 14299769) has the molecular formula C5H5Cl3 and a molecular weight of 171.45 g/mol. Its IUPAC name is 1,1,2-trichloro-2-ethenylcyclopropane.

Molecular Properties

Compound Name1,1,2-trichloro-2-ethenylcyclopropane
PubChem CID14299769
Molecular FormulaC5H5Cl3
Molecular Weight171.45 g/mol
Exact Mass169.95
IUPAC Name1,1,2-trichloro-2-ethenylcyclopropane
SMILESC=CC1(Cl)CC1(Cl)Cl
InChIInChI=1S/C5H5Cl3/c1-2-4(6)3-5(4,7)8/h2H,1,3H2
InChIKeyQGXOFXDDCJPXOD-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.45
LogP ≤ 52.73
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'}

Analyze 1,1,2-trichloro-2-ethenylcyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trichloro-2-ethenylcyclopropane?
The IUPAC name of 1,1,2-trichloro-2-ethenylcyclopropane (CID 14299769) is 1,1,2-trichloro-2-ethenylcyclopropane.
What is the SMILES notation for 1,1,2-trichloro-2-ethenylcyclopropane?
The canonical SMILES for 1,1,2-trichloro-2-ethenylcyclopropane is C=CC1(Cl)CC1(Cl)Cl.
What is the InChIKey of 1,1,2-trichloro-2-ethenylcyclopropane?
The InChIKey is QGXOFXDDCJPXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl3/c1-2-4(6)3-5(4,7)8/h2H,1,3H2.
What are the key properties of 1,1,2-trichloro-2-ethenylcyclopropane?
1,1,2-trichloro-2-ethenylcyclopropane has a molecular weight of 171.45 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trichloro-2-ethenylcyclopropane is sourced from PubChem (CID 14299769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).