1,2,2-trichloroethenylcyclopropane

C5H5Cl3 — CID 22628617

IUPAC1,2,2-trichloroethenylcyclopropane
SMILESClC(Cl)=C(Cl)C1CC1
InChIInChI=1S/C5H5Cl3/c6-4(5(7)8)3-1-2-3/h3H,1-2H2
InChIKeyZAVLGCBFUXUQMY-UHFFFAOYSA-N
MW171.45 g/mol
LogP3.28
Rot. Bonds1

About 1,2,2-trichloroethenylcyclopropane

1,2,2-trichloroethenylcyclopropane (PubChem CID 22628617) has the molecular formula C5H5Cl3 and a molecular weight of 171.45 g/mol. Its IUPAC name is 1,2,2-trichloroethenylcyclopropane.

Molecular Properties

Compound Name1,2,2-trichloroethenylcyclopropane
PubChem CID22628617
Molecular FormulaC5H5Cl3
Molecular Weight171.45 g/mol
Exact Mass169.95
IUPAC Name1,2,2-trichloroethenylcyclopropane
SMILESClC(Cl)=C(Cl)C1CC1
InChIInChI=1S/C5H5Cl3/c6-4(5(7)8)3-1-2-3/h3H,1-2H2
InChIKeyZAVLGCBFUXUQMY-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trichloroethenylcyclopropane?
The IUPAC name of 1,2,2-trichloroethenylcyclopropane (CID 22628617) is 1,2,2-trichloroethenylcyclopropane.
What is the SMILES notation for 1,2,2-trichloroethenylcyclopropane?
The canonical SMILES for 1,2,2-trichloroethenylcyclopropane is ClC(Cl)=C(Cl)C1CC1.
What is the InChIKey of 1,2,2-trichloroethenylcyclopropane?
The InChIKey is ZAVLGCBFUXUQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl3/c6-4(5(7)8)3-1-2-3/h3H,1-2H2.
What are the key properties of 1,2,2-trichloroethenylcyclopropane?
1,2,2-trichloroethenylcyclopropane has a molecular weight of 171.45 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trichloroethenylcyclopropane is sourced from PubChem (CID 22628617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).