1,4-bis(2,2-dichlorocyclopropyl)benzene

C₁₂H₁₀Cl₄ — CID 15253917

About 1,4-bis(2,2-dichlorocyclopropyl)benzene

1,4-bis(2,2-dichlorocyclopropyl)benzene (PubChem CID 15253917) has the molecular formula C₁₂H₁₀Cl₄ and a molecular weight of 296.02 g/mol. Its IUPAC name is 1,4-bis(2,2-dichlorocyclopropyl)benzene.

Molecular Properties

• Compound Name: 1,4-bis(2,2-dichlorocyclopropyl)benzene
• PubChem CID: 15253917
• Molecular Formula: C₁₂H₁₀Cl₄
• Molecular Weight: 296.02 g/mol
• Exact Mass: 293.95
• IUPAC Name: 1,4-bis(2,2-dichlorocyclopropyl)benzene
• SMILES: ClC1(Cl)CC1c1ccc(C2CC2(Cl)Cl)cc1
• InChI: InChI=1S/C12H10Cl4/c13-11(14)5-9(11)7-1-2-8(4-3-7)10-6-12(10,15)16/h1-4,9-10H,5-6H2
• InChIKey: NONSQDSAQYDPDI-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	296.02
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2,2-dichlorocyclopropyl)benzene?

The IUPAC name of 1,4-bis(2,2-dichlorocyclopropyl)benzene (CID 15253917) is 1,4-bis(2,2-dichlorocyclopropyl)benzene.

What is the SMILES notation for 1,4-bis(2,2-dichlorocyclopropyl)benzene?

The canonical SMILES for 1,4-bis(2,2-dichlorocyclopropyl)benzene is ClC1(Cl)CC1c1ccc(C2CC2(Cl)Cl)cc1.

What is the InChIKey of 1,4-bis(2,2-dichlorocyclopropyl)benzene?

The InChIKey is NONSQDSAQYDPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl4/c13-11(14)5-9(11)7-1-2-8(4-3-7)10-6-12(10,15)16/h1-4,9-10H,5-6H2.

What are the key properties of 1,4-bis(2,2-dichlorocyclopropyl)benzene?

1,4-bis(2,2-dichlorocyclopropyl)benzene has a molecular weight of 296.02 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-bis(2,2-dichlorocyclopropyl)benzene is sourced from PubChem (CID 15253917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15253917 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.