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

C12H10Cl4 — CID 15253917

IUPAC1,4-bis(2,2-dichlorocyclopropyl)benzene
SMILESClC1(Cl)CC1c1ccc(C2CC2(Cl)Cl)cc1
InChIInChI=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
InChIKeyNONSQDSAQYDPDI-UHFFFAOYSA-N
MW296.02 g/mol
LogP5.01
Rot. Bonds2

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 Name1,4-bis(2,2-dichlorocyclopropyl)benzene
PubChem CID15253917
Molecular FormulaC12H10Cl4
Molecular Weight296.02 g/mol
Exact Mass293.95
IUPAC Name1,4-bis(2,2-dichlorocyclopropyl)benzene
SMILESClC1(Cl)CC1c1ccc(C2CC2(Cl)Cl)cc1
InChIInChI=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
InChIKeyNONSQDSAQYDPDI-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.02
LogP ≤ 55.01
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 1,4-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).