1-(1,2,2-trichloroethenyl)cyclohexene

C8H9Cl3 — CID 12858430

IUPAC1-(1,2,2-trichloroethenyl)cyclohexene
SMILESClC(Cl)=C(Cl)C1=CCCCC1
InChIInChI=1S/C8H9Cl3/c9-7(8(10)11)6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyWJMBOAGIZVQVGG-UHFFFAOYSA-N
MW211.52 g/mol
LogP4.37
Rot. Bonds1

About 1-(1,2,2-trichloroethenyl)cyclohexene

1-(1,2,2-trichloroethenyl)cyclohexene (PubChem CID 12858430) has the molecular formula C8H9Cl3 and a molecular weight of 211.52 g/mol. Its IUPAC name is 1-(1,2,2-trichloroethenyl)cyclohexene.

Molecular Properties

Compound Name1-(1,2,2-trichloroethenyl)cyclohexene
PubChem CID12858430
Molecular FormulaC8H9Cl3
Molecular Weight211.52 g/mol
Exact Mass209.98
IUPAC Name1-(1,2,2-trichloroethenyl)cyclohexene
SMILESClC(Cl)=C(Cl)C1=CCCCC1
InChIInChI=1S/C8H9Cl3/c9-7(8(10)11)6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyWJMBOAGIZVQVGG-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.52
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1-Chlorovinyl)cyclohexene
CID 129802961
Cyclooctene, 1-trichloromethyl
CID 91751265
1-[(Z)-1,2-dichloroethenyl]cyclohexene
CID 135058109
(3E)-2-chloro-1-ethenyl-3-ethylidenecyclohexene
CID 18737557
Trichloromethylcyclohexene
CID 70567741
2-Chloro-1-methyl-3-methylidenecyclohexene
CID 21138318
1-chloro-2-[(E)-2-(2-chlorocyclohexen-1-yl)ethenyl]cyclohexene
CID 10611145
3-Dichloromethylenecyclo-hexene
CID 12809300
1-[(Z)-2-Butyltellanyl-1-chloroethenyl]cyclohex-1-ene
CID 25016136
2-Chloro-3-(chloromethylene)cyclohexene
CID 129812549
1-(4,4-Dichloro-3,3-difluorocyclobuten-1-yl)cyclohexene
CID 131851943
1-(Dichloromethyl)cyclohexene
CID 86221300

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2-trichloroethenyl)cyclohexene?
The IUPAC name of 1-(1,2,2-trichloroethenyl)cyclohexene (CID 12858430) is 1-(1,2,2-trichloroethenyl)cyclohexene.
What is the SMILES notation for 1-(1,2,2-trichloroethenyl)cyclohexene?
The canonical SMILES for 1-(1,2,2-trichloroethenyl)cyclohexene is ClC(Cl)=C(Cl)C1=CCCCC1.
What is the InChIKey of 1-(1,2,2-trichloroethenyl)cyclohexene?
The InChIKey is WJMBOAGIZVQVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl3/c9-7(8(10)11)6-4-2-1-3-5-6/h4H,1-3,5H2.
What are the key properties of 1-(1,2,2-trichloroethenyl)cyclohexene?
1-(1,2,2-trichloroethenyl)cyclohexene has a molecular weight of 211.52 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-trichloroethenyl)cyclohexene is sourced from PubChem (CID 12858430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).