1-chloro-2-(trichloromethyl)cyclopentene

C6H6Cl4 — CID 67355413

IUPAC1-chloro-2-(trichloromethyl)cyclopentene
SMILESClC1=C(C(Cl)(Cl)Cl)CCC1
InChIInChI=1S/C6H6Cl4/c7-5-3-1-2-4(5)6(8,9)10/h1-3H2
InChIKeyFZGCRLYBLOGMOI-UHFFFAOYSA-N
MW219.93 g/mol
LogP4.03
Rot. Bonds

About 1-chloro-2-(trichloromethyl)cyclopentene

1-chloro-2-(trichloromethyl)cyclopentene (PubChem CID 67355413) has the molecular formula C6H6Cl4 and a molecular weight of 219.93 g/mol. Its IUPAC name is 1-chloro-2-(trichloromethyl)cyclopentene.

Molecular Properties

Compound Name1-chloro-2-(trichloromethyl)cyclopentene
PubChem CID67355413
Molecular FormulaC6H6Cl4
Molecular Weight219.93 g/mol
Exact Mass217.92
IUPAC Name1-chloro-2-(trichloromethyl)cyclopentene
SMILESClC1=C(C(Cl)(Cl)Cl)CCC1
InChIInChI=1S/C6H6Cl4/c7-5-3-1-2-4(5)6(8,9)10/h1-3H2
InChIKeyFZGCRLYBLOGMOI-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.93
LogP ≤ 54.03
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-2-(trichloromethyl)cyclopentene?
The IUPAC name of 1-chloro-2-(trichloromethyl)cyclopentene (CID 67355413) is 1-chloro-2-(trichloromethyl)cyclopentene.
What is the SMILES notation for 1-chloro-2-(trichloromethyl)cyclopentene?
The canonical SMILES for 1-chloro-2-(trichloromethyl)cyclopentene is ClC1=C(C(Cl)(Cl)Cl)CCC1.
What is the InChIKey of 1-chloro-2-(trichloromethyl)cyclopentene?
The InChIKey is FZGCRLYBLOGMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl4/c7-5-3-1-2-4(5)6(8,9)10/h1-3H2.
What are the key properties of 1-chloro-2-(trichloromethyl)cyclopentene?
1-chloro-2-(trichloromethyl)cyclopentene has a molecular weight of 219.93 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(trichloromethyl)cyclopentene is sourced from PubChem (CID 67355413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).