2-(2-bromocyclopentyl)-1,4-dichlorobenzene

C11H11BrCl2 — CID 63512302

IUPAC2-(2-bromocyclopentyl)-1,4-dichlorobenzene
SMILESClc1ccc(Cl)c(C2CCCC2Br)c1
InChIInChI=1S/C11H11BrCl2/c12-10-3-1-2-8(10)9-6-7(13)4-5-11(9)14/h4-6,8,10H,1-3H2
InChIKeyQYANHQDYUNXSSL-UHFFFAOYSA-N
MW294.02 g/mol
LogP5.02
Rot. Bonds1

About 2-(2-bromocyclopentyl)-1,4-dichlorobenzene

2-(2-bromocyclopentyl)-1,4-dichlorobenzene (PubChem CID 63512302) has the molecular formula C11H11BrCl2 and a molecular weight of 294.02 g/mol. Its IUPAC name is 2-(2-bromocyclopentyl)-1,4-dichlorobenzene.

Molecular Properties

Compound Name2-(2-bromocyclopentyl)-1,4-dichlorobenzene
PubChem CID63512302
Molecular FormulaC11H11BrCl2
Molecular Weight294.02 g/mol
Exact Mass291.94
IUPAC Name2-(2-bromocyclopentyl)-1,4-dichlorobenzene
SMILESClc1ccc(Cl)c(C2CCCC2Br)c1
InChIInChI=1S/C11H11BrCl2/c12-10-3-1-2-8(10)9-6-7(13)4-5-11(9)14/h4-6,8,10H,1-3H2
InChIKeyQYANHQDYUNXSSL-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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Related Compounds

4-(2-bromocyclopentyl)-1,2-dichlorobenzene
CID 63511309
1-(2-bromocyclopentyl)-2,3-dichlorobenzene
CID 63512300
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1-bromo-3-(2,5-dichlorophenyl)cycloheptane
CID 64506723
2-(2-bromocyclopentyl)-5-chloro-1-benzofuran
CID 114732824
2-[2-(2,5-dichlorophenyl)cyclohexyl]acetic acid
CID 82250027
N-[[2-(2,5-dichlorophenyl)cyclohexyl]methyl]propan-2-amine
CID 81024095
N-[[2-(2,5-dichlorophenyl)cycloheptyl]methyl]propan-2-amine
CID 81025808
2-(2,5-dichlorophenyl)-4-methylcyclohexan-1-amine
CID 81013313
3-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine
CID 139448349
(3S)-3-(2,5-dichlorophenyl)piperidine
CID 93478490
3-(2,5-dichlorophenyl)cycloheptan-1-ol
CID 64513926

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromocyclopentyl)-1,4-dichlorobenzene?
The IUPAC name of 2-(2-bromocyclopentyl)-1,4-dichlorobenzene (CID 63512302) is 2-(2-bromocyclopentyl)-1,4-dichlorobenzene.
What is the SMILES notation for 2-(2-bromocyclopentyl)-1,4-dichlorobenzene?
The canonical SMILES for 2-(2-bromocyclopentyl)-1,4-dichlorobenzene is Clc1ccc(Cl)c(C2CCCC2Br)c1.
What is the InChIKey of 2-(2-bromocyclopentyl)-1,4-dichlorobenzene?
The InChIKey is QYANHQDYUNXSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrCl2/c12-10-3-1-2-8(10)9-6-7(13)4-5-11(9)14/h4-6,8,10H,1-3H2.
What are the key properties of 2-(2-bromocyclopentyl)-1,4-dichlorobenzene?
2-(2-bromocyclopentyl)-1,4-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 2-(2-bromocyclopentyl)-1,4-dichlorobenzene is sourced from PubChem (CID 63512302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).