1-chloro-2-(dichloromethyl)cyclopentene

C6H7Cl3 — CID 15709842

IUPAC1-chloro-2-(dichloromethyl)cyclopentene
SMILESClC1=C(C(Cl)Cl)CCC1
InChIInChI=1S/C6H7Cl3/c7-5-3-1-2-4(5)6(8)9/h6H,1-3H2
InChIKeyOKJXGIUZWZDCCO-UHFFFAOYSA-N
MW185.48 g/mol
LogP3.47
Rot. Bonds1

About 1-chloro-2-(dichloromethyl)cyclopentene

1-chloro-2-(dichloromethyl)cyclopentene (PubChem CID 15709842) has the molecular formula C6H7Cl3 and a molecular weight of 185.48 g/mol. Its IUPAC name is 1-chloro-2-(dichloromethyl)cyclopentene.

Molecular Properties

Compound Name1-chloro-2-(dichloromethyl)cyclopentene
PubChem CID15709842
Molecular FormulaC6H7Cl3
Molecular Weight185.48 g/mol
Exact Mass183.96
IUPAC Name1-chloro-2-(dichloromethyl)cyclopentene
SMILESClC1=C(C(Cl)Cl)CCC1
InChIInChI=1S/C6H7Cl3/c7-5-3-1-2-4(5)6(8)9/h6H,1-3H2
InChIKeyOKJXGIUZWZDCCO-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.48
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloro-2-(dichloromethyl)cyclopentene 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-chloro-2-(dichloromethyl)cyclopentene?
The IUPAC name of 1-chloro-2-(dichloromethyl)cyclopentene (CID 15709842) is 1-chloro-2-(dichloromethyl)cyclopentene.
What is the SMILES notation for 1-chloro-2-(dichloromethyl)cyclopentene?
The canonical SMILES for 1-chloro-2-(dichloromethyl)cyclopentene is ClC1=C(C(Cl)Cl)CCC1.
What is the InChIKey of 1-chloro-2-(dichloromethyl)cyclopentene?
The InChIKey is OKJXGIUZWZDCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl3/c7-5-3-1-2-4(5)6(8)9/h6H,1-3H2.
What are the key properties of 1-chloro-2-(dichloromethyl)cyclopentene?
1-chloro-2-(dichloromethyl)cyclopentene has a molecular weight of 185.48 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(dichloromethyl)cyclopentene is sourced from PubChem (CID 15709842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).