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

C11H11BrCl2 — CID 63511309

IUPAC4-(2-bromocyclopentyl)-1,2-dichlorobenzene
SMILESClc1ccc(C2CCCC2Br)cc1Cl
InChIInChI=1S/C11H11BrCl2/c12-9-3-1-2-8(9)7-4-5-10(13)11(14)6-7/h4-6,8-9H,1-3H2
InChIKeyPPZRQUPRNKSKJN-UHFFFAOYSA-N
MW294.02 g/mol
LogP5.02
Rot. Bonds1

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

4-(2-bromocyclopentyl)-1,2-dichlorobenzene (PubChem CID 63511309) has the molecular formula C11H11BrCl2 and a molecular weight of 294.02 g/mol. Its IUPAC name is 4-(2-bromocyclopentyl)-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-(2-bromocyclopentyl)-1,2-dichlorobenzene
PubChem CID63511309
Molecular FormulaC11H11BrCl2
Molecular Weight294.02 g/mol
Exact Mass291.94
IUPAC Name4-(2-bromocyclopentyl)-1,2-dichlorobenzene
SMILESClc1ccc(C2CCCC2Br)cc1Cl
InChIInChI=1S/C11H11BrCl2/c12-9-3-1-2-8(9)7-4-5-10(13)11(14)6-7/h4-6,8-9H,1-3H2
InChIKeyPPZRQUPRNKSKJN-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-(3-bromo-2-methylcyclopentyl)-1,2-dichlorobenzene
CID 64909036
4-(2-bromocyclopentyl)-1,2-dimethylbenzene
CID 63511139
[2-(3,4-dichlorophenyl)cyclopentyl]methanamine
CID 81010012
2-(2-bromocyclopentyl)-1,4-dichlorobenzene
CID 63512302
2-(2-bromocyclopentyl)naphthalene
CID 63512142
(3aS,4S,7aR)-4-(3,4-dichlorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole;hydrochloride
CID 22860308
3-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 90970117
2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine
CID 55197274
1-(2-bromocyclobutyl)-4-chlorobenzene
CID 68872096
[2-(3,4-dichlorophenyl)cyclobutyl]methanethiol
CID 174261126
1-(2-bromocyclopentyl)-2,3-dichlorobenzene
CID 63512300
N-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine
CID 81024326

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromocyclopentyl)-1,2-dichlorobenzene?
The IUPAC name of 4-(2-bromocyclopentyl)-1,2-dichlorobenzene (CID 63511309) is 4-(2-bromocyclopentyl)-1,2-dichlorobenzene.
What is the SMILES notation for 4-(2-bromocyclopentyl)-1,2-dichlorobenzene?
The canonical SMILES for 4-(2-bromocyclopentyl)-1,2-dichlorobenzene is Clc1ccc(C2CCCC2Br)cc1Cl.
What is the InChIKey of 4-(2-bromocyclopentyl)-1,2-dichlorobenzene?
The InChIKey is PPZRQUPRNKSKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrCl2/c12-9-3-1-2-8(9)7-4-5-10(13)11(14)6-7/h4-6,8-9H,1-3H2.
What are the key properties of 4-(2-bromocyclopentyl)-1,2-dichlorobenzene?
4-(2-bromocyclopentyl)-1,2-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 4-(2-bromocyclopentyl)-1,2-dichlorobenzene is sourced from PubChem (CID 63511309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).