1,3-dichloro-5-(2,2-dichlorocyclopropyl)benzene

C9H6Cl4 — CID 145170378

IUPAC1,3-dichloro-5-(2,2-dichlorocyclopropyl)benzene
SMILESClc1cc(Cl)cc(C2CC2(Cl)Cl)c1
InChIInChI=1S/C9H6Cl4/c10-6-1-5(2-7(11)3-6)8-4-9(8,12)13/h1-3,8H,4H2
InChIKeyDGJDRIUKHWDQCY-UHFFFAOYSA-N
MW255.96 g/mol
LogP4.65
Rot. Bonds1

About 1,3-dichloro-5-(2,2-dichlorocyclopropyl)benzene

1,3-dichloro-5-(2,2-dichlorocyclopropyl)benzene (PubChem CID 145170378) has the molecular formula C9H6Cl4 and a molecular weight of 255.96 g/mol. Its IUPAC name is 1,3-dichloro-5-(2,2-dichlorocyclopropyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-5-(2,2-dichlorocyclopropyl)benzene
PubChem CID145170378
Molecular FormulaC9H6Cl4
Molecular Weight255.96 g/mol
Exact Mass253.92
IUPAC Name1,3-dichloro-5-(2,2-dichlorocyclopropyl)benzene
SMILESClc1cc(Cl)cc(C2CC2(Cl)Cl)c1
InChIInChI=1S/C9H6Cl4/c10-6-1-5(2-7(11)3-6)8-4-9(8,12)13/h1-3,8H,4H2
InChIKeyDGJDRIUKHWDQCY-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.96
LogP ≤ 54.65
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 1,3-dichloro-5-(2,2-dichlorocyclopropyl)benzene?
The IUPAC name of 1,3-dichloro-5-(2,2-dichlorocyclopropyl)benzene (CID 145170378) is 1,3-dichloro-5-(2,2-dichlorocyclopropyl)benzene.
What is the SMILES notation for 1,3-dichloro-5-(2,2-dichlorocyclopropyl)benzene?
The canonical SMILES for 1,3-dichloro-5-(2,2-dichlorocyclopropyl)benzene is Clc1cc(Cl)cc(C2CC2(Cl)Cl)c1.
What is the InChIKey of 1,3-dichloro-5-(2,2-dichlorocyclopropyl)benzene?
The InChIKey is DGJDRIUKHWDQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl4/c10-6-1-5(2-7(11)3-6)8-4-9(8,12)13/h1-3,8H,4H2.
What are the key properties of 1,3-dichloro-5-(2,2-dichlorocyclopropyl)benzene?
1,3-dichloro-5-(2,2-dichlorocyclopropyl)benzene has a molecular weight of 255.96 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(2,2-dichlorocyclopropyl)benzene is sourced from PubChem (CID 145170378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).