1-chloro-2-(2,2-dichloroethenyl)benzene

C8H5Cl3 — CID 11298721

IUPAC1-chloro-2-(2,2-dichloroethenyl)benzene
SMILESClC(Cl)=Cc1ccccc1Cl
InChIInChI=1S/C8H5Cl3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-5H
InChIKeyHMOBYVTWFMPTON-UHFFFAOYSA-N
MW207.49 g/mol
LogP4.12
Rot. Bonds1

About 1-chloro-2-(2,2-dichloroethenyl)benzene

1-chloro-2-(2,2-dichloroethenyl)benzene (PubChem CID 11298721) has the molecular formula C8H5Cl3 and a molecular weight of 207.49 g/mol. Its IUPAC name is 1-chloro-2-(2,2-dichloroethenyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(2,2-dichloroethenyl)benzene
PubChem CID11298721
Molecular FormulaC8H5Cl3
Molecular Weight207.49 g/mol
Exact Mass205.95
IUPAC Name1-chloro-2-(2,2-dichloroethenyl)benzene
SMILESClC(Cl)=Cc1ccccc1Cl
InChIInChI=1S/C8H5Cl3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-5H
InChIKeyHMOBYVTWFMPTON-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.49
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2,2-dichloroethenyl)benzene?
The IUPAC name of 1-chloro-2-(2,2-dichloroethenyl)benzene (CID 11298721) is 1-chloro-2-(2,2-dichloroethenyl)benzene.
What is the SMILES notation for 1-chloro-2-(2,2-dichloroethenyl)benzene?
The canonical SMILES for 1-chloro-2-(2,2-dichloroethenyl)benzene is ClC(Cl)=Cc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(2,2-dichloroethenyl)benzene?
The InChIKey is HMOBYVTWFMPTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-5H.
What are the key properties of 1-chloro-2-(2,2-dichloroethenyl)benzene?
1-chloro-2-(2,2-dichloroethenyl)benzene has a molecular weight of 207.49 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2,2-dichloroethenyl)benzene is sourced from PubChem (CID 11298721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).