2,2-dichloroethylcyclopentane

C7H12Cl2 — CID 118254989

IUPAC2,2-dichloroethylcyclopentane
SMILESClC(Cl)CC1CCCC1
InChIInChI=1S/C7H12Cl2/c8-7(9)5-6-3-1-2-4-6/h6-7H,1-5H2
InChIKeyCSNUBZFHHXSACU-UHFFFAOYSA-N
MW167.08 g/mol
LogP3.37
Rot. Bonds2

About 2,2-dichloroethylcyclopentane

2,2-dichloroethylcyclopentane (PubChem CID 118254989) has the molecular formula C7H12Cl2 and a molecular weight of 167.08 g/mol. Its IUPAC name is 2,2-dichloroethylcyclopentane.

Molecular Properties

Compound Name2,2-dichloroethylcyclopentane
PubChem CID118254989
Molecular FormulaC7H12Cl2
Molecular Weight167.08 g/mol
Exact Mass166.03
IUPAC Name2,2-dichloroethylcyclopentane
SMILESClC(Cl)CC1CCCC1
InChIInChI=1S/C7H12Cl2/c8-7(9)5-6-3-1-2-4-6/h6-7H,1-5H2
InChIKeyCSNUBZFHHXSACU-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.08
LogP ≤ 53.37
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 2,2-dichloroethylcyclopentane?
The IUPAC name of 2,2-dichloroethylcyclopentane (CID 118254989) is 2,2-dichloroethylcyclopentane.
What is the SMILES notation for 2,2-dichloroethylcyclopentane?
The canonical SMILES for 2,2-dichloroethylcyclopentane is ClC(Cl)CC1CCCC1.
What is the InChIKey of 2,2-dichloroethylcyclopentane?
The InChIKey is CSNUBZFHHXSACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2/c8-7(9)5-6-3-1-2-4-6/h6-7H,1-5H2.
What are the key properties of 2,2-dichloroethylcyclopentane?
2,2-dichloroethylcyclopentane has a molecular weight of 167.08 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloroethylcyclopentane is sourced from PubChem (CID 118254989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).