1-(2-bromocyclopentyl)-2,3-dichlorobenzene

C11H11BrCl2 — CID 63512300

IUPAC1-(2-bromocyclopentyl)-2,3-dichlorobenzene
SMILESClc1cccc(C2CCCC2Br)c1Cl
InChIInChI=1S/C11H11BrCl2/c12-9-5-1-3-7(9)8-4-2-6-10(13)11(8)14/h2,4,6-7,9H,1,3,5H2
InChIKeyRHGMMIBFVKYWJD-UHFFFAOYSA-N
MW294.02 g/mol
LogP5.02
Rot. Bonds1

About 1-(2-bromocyclopentyl)-2,3-dichlorobenzene

1-(2-bromocyclopentyl)-2,3-dichlorobenzene (PubChem CID 63512300) has the molecular formula C11H11BrCl2 and a molecular weight of 294.02 g/mol. Its IUPAC name is 1-(2-bromocyclopentyl)-2,3-dichlorobenzene.

Molecular Properties

Compound Name1-(2-bromocyclopentyl)-2,3-dichlorobenzene
PubChem CID63512300
Molecular FormulaC11H11BrCl2
Molecular Weight294.02 g/mol
Exact Mass291.94
IUPAC Name1-(2-bromocyclopentyl)-2,3-dichlorobenzene
SMILESClc1cccc(C2CCCC2Br)c1Cl
InChIInChI=1S/C11H11BrCl2/c12-9-5-1-3-7(9)8-4-2-6-10(13)11(8)14/h2,4,6-7,9H,1,3,5H2
InChIKeyRHGMMIBFVKYWJD-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.02
LogP ≤ 55.02
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-(2-bromocyclopentyl)-2,3-dichlorobenzene?
The IUPAC name of 1-(2-bromocyclopentyl)-2,3-dichlorobenzene (CID 63512300) is 1-(2-bromocyclopentyl)-2,3-dichlorobenzene.
What is the SMILES notation for 1-(2-bromocyclopentyl)-2,3-dichlorobenzene?
The canonical SMILES for 1-(2-bromocyclopentyl)-2,3-dichlorobenzene is Clc1cccc(C2CCCC2Br)c1Cl.
What is the InChIKey of 1-(2-bromocyclopentyl)-2,3-dichlorobenzene?
The InChIKey is RHGMMIBFVKYWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrCl2/c12-9-5-1-3-7(9)8-4-2-6-10(13)11(8)14/h2,4,6-7,9H,1,3,5H2.
What are the key properties of 1-(2-bromocyclopentyl)-2,3-dichlorobenzene?
1-(2-bromocyclopentyl)-2,3-dichlorobenzene has a molecular weight of 294.02 g/mol, XLogP of 5.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromocyclopentyl)-2,3-dichlorobenzene is sourced from PubChem (CID 63512300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).