1,2,2-trichloroethenylcyclopentane

C7H9Cl3 — CID 596036

IUPAC1,2,2-trichloroethenylcyclopentane
SMILESClC(Cl)=C(Cl)C1CCCC1
InChIInChI=1S/C7H9Cl3/c8-6(7(9)10)5-3-1-2-4-5/h5H,1-4H2
InChIKeyNXMNYMTYXKDGLA-UHFFFAOYSA-N
MW199.51 g/mol
LogP4.06
Rot. Bonds1

About 1,2,2-trichloroethenylcyclopentane

1,2,2-trichloroethenylcyclopentane (PubChem CID 596036) has the molecular formula C7H9Cl3 and a molecular weight of 199.51 g/mol. Its IUPAC name is 1,2,2-trichloroethenylcyclopentane.

Molecular Properties

Compound Name1,2,2-trichloroethenylcyclopentane
PubChem CID596036
Molecular FormulaC7H9Cl3
Molecular Weight199.51 g/mol
Exact Mass197.98
IUPAC Name1,2,2-trichloroethenylcyclopentane
SMILESClC(Cl)=C(Cl)C1CCCC1
InChIInChI=1S/C7H9Cl3/c8-6(7(9)10)5-3-1-2-4-5/h5H,1-4H2
InChIKeyNXMNYMTYXKDGLA-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.51
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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3-methylbuta-1,3-dien-2-ylcyclohexane
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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trichloroethenylcyclopentane?
The IUPAC name of 1,2,2-trichloroethenylcyclopentane (CID 596036) is 1,2,2-trichloroethenylcyclopentane.
What is the SMILES notation for 1,2,2-trichloroethenylcyclopentane?
The canonical SMILES for 1,2,2-trichloroethenylcyclopentane is ClC(Cl)=C(Cl)C1CCCC1.
What is the InChIKey of 1,2,2-trichloroethenylcyclopentane?
The InChIKey is NXMNYMTYXKDGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl3/c8-6(7(9)10)5-3-1-2-4-5/h5H,1-4H2.
What are the key properties of 1,2,2-trichloroethenylcyclopentane?
1,2,2-trichloroethenylcyclopentane has a molecular weight of 199.51 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trichloroethenylcyclopentane is sourced from PubChem (CID 596036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).