1,1,2-trichloro-2-(1-chloroethenyl)cyclopropane

C5H4Cl4 — CID 119096894

IUPAC1,1,2-trichloro-2-(1-chloroethenyl)cyclopropane
SMILESC=C(Cl)C1(Cl)CC1(Cl)Cl
InChIInChI=1S/C5H4Cl4/c1-3(6)4(7)2-5(4,8)9/h1-2H2
InChIKeyMIOHCFVHUSYLHH-UHFFFAOYSA-N
MW205.90 g/mol
LogP3.29
Rot. Bonds1

About 1,1,2-trichloro-2-(1-chloroethenyl)cyclopropane

1,1,2-trichloro-2-(1-chloroethenyl)cyclopropane (PubChem CID 119096894) has the molecular formula C5H4Cl4 and a molecular weight of 205.90 g/mol. Its IUPAC name is 1,1,2-trichloro-2-(1-chloroethenyl)cyclopropane.

Molecular Properties

Compound Name1,1,2-trichloro-2-(1-chloroethenyl)cyclopropane
PubChem CID119096894
Molecular FormulaC5H4Cl4
Molecular Weight205.90 g/mol
Exact Mass203.91
IUPAC Name1,1,2-trichloro-2-(1-chloroethenyl)cyclopropane
SMILESC=C(Cl)C1(Cl)CC1(Cl)Cl
InChIInChI=1S/C5H4Cl4/c1-3(6)4(7)2-5(4,8)9/h1-2H2
InChIKeyMIOHCFVHUSYLHH-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.90
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trichloro-2-(1-chloroethenyl)cyclopropane?
The IUPAC name of 1,1,2-trichloro-2-(1-chloroethenyl)cyclopropane (CID 119096894) is 1,1,2-trichloro-2-(1-chloroethenyl)cyclopropane.
What is the SMILES notation for 1,1,2-trichloro-2-(1-chloroethenyl)cyclopropane?
The canonical SMILES for 1,1,2-trichloro-2-(1-chloroethenyl)cyclopropane is C=C(Cl)C1(Cl)CC1(Cl)Cl.
What is the InChIKey of 1,1,2-trichloro-2-(1-chloroethenyl)cyclopropane?
The InChIKey is MIOHCFVHUSYLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl4/c1-3(6)4(7)2-5(4,8)9/h1-2H2.
What are the key properties of 1,1,2-trichloro-2-(1-chloroethenyl)cyclopropane?
1,1,2-trichloro-2-(1-chloroethenyl)cyclopropane has a molecular weight of 205.90 g/mol, XLogP of 3.29, 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-(1-chloroethenyl)cyclopropane is sourced from PubChem (CID 119096894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).