1-chloro-1-(2,2-dichloroethenyl)cyclopropane

C5H5Cl3 — CID 13331621

IUPAC1-chloro-1-(2,2-dichloroethenyl)cyclopropane
SMILESClC(Cl)=CC1(Cl)CC1
InChIInChI=1S/C5H5Cl3/c6-4(7)3-5(8)1-2-5/h3H,1-2H2
InChIKeyFSEWKHPJHDMIRR-UHFFFAOYSA-N
MW171.45 g/mol
LogP3.08
Rot. Bonds1

About 1-chloro-1-(2,2-dichloroethenyl)cyclopropane

1-chloro-1-(2,2-dichloroethenyl)cyclopropane (PubChem CID 13331621) has the molecular formula C5H5Cl3 and a molecular weight of 171.45 g/mol. Its IUPAC name is 1-chloro-1-(2,2-dichloroethenyl)cyclopropane.

Molecular Properties

Compound Name1-chloro-1-(2,2-dichloroethenyl)cyclopropane
PubChem CID13331621
Molecular FormulaC5H5Cl3
Molecular Weight171.45 g/mol
Exact Mass169.95
IUPAC Name1-chloro-1-(2,2-dichloroethenyl)cyclopropane
SMILESClC(Cl)=CC1(Cl)CC1
InChIInChI=1S/C5H5Cl3/c6-4(7)3-5(8)1-2-5/h3H,1-2H2
InChIKeyFSEWKHPJHDMIRR-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
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-chloro-1-(2,2-dichloroethenyl)cyclopropane?
The IUPAC name of 1-chloro-1-(2,2-dichloroethenyl)cyclopropane (CID 13331621) is 1-chloro-1-(2,2-dichloroethenyl)cyclopropane.
What is the SMILES notation for 1-chloro-1-(2,2-dichloroethenyl)cyclopropane?
The canonical SMILES for 1-chloro-1-(2,2-dichloroethenyl)cyclopropane is ClC(Cl)=CC1(Cl)CC1.
What is the InChIKey of 1-chloro-1-(2,2-dichloroethenyl)cyclopropane?
The InChIKey is FSEWKHPJHDMIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl3/c6-4(7)3-5(8)1-2-5/h3H,1-2H2.
What are the key properties of 1-chloro-1-(2,2-dichloroethenyl)cyclopropane?
1-chloro-1-(2,2-dichloroethenyl)cyclopropane has a molecular weight of 171.45 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(2,2-dichloroethenyl)cyclopropane is sourced from PubChem (CID 13331621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).