1-[(2-bromocyclopentyl)methyl]-2,3-dichlorobenzene

C12H13BrCl2 — CID 107309484

IUPAC1-[(2-bromocyclopentyl)methyl]-2,3-dichlorobenzene
SMILESClc1cccc(CC2CCCC2Br)c1Cl
InChIInChI=1S/C12H13BrCl2/c13-10-5-1-3-8(10)7-9-4-2-6-11(14)12(9)15/h2,4,6,8,10H,1,3,5,7H2
InChIKeyBTAQAIVLVSDIFA-UHFFFAOYSA-N
MW308.05 g/mol
LogP5.10
Rot. Bonds2

About 1-[(2-bromocyclopentyl)methyl]-2,3-dichlorobenzene

1-[(2-bromocyclopentyl)methyl]-2,3-dichlorobenzene (PubChem CID 107309484) has the molecular formula C12H13BrCl2 and a molecular weight of 308.05 g/mol. Its IUPAC name is 1-[(2-bromocyclopentyl)methyl]-2,3-dichlorobenzene.

Molecular Properties

Compound Name1-[(2-bromocyclopentyl)methyl]-2,3-dichlorobenzene
PubChem CID107309484
Molecular FormulaC12H13BrCl2
Molecular Weight308.05 g/mol
Exact Mass305.96
IUPAC Name1-[(2-bromocyclopentyl)methyl]-2,3-dichlorobenzene
SMILESClc1cccc(CC2CCCC2Br)c1Cl
InChIInChI=1S/C12H13BrCl2/c13-10-5-1-3-8(10)7-9-4-2-6-11(14)12(9)15/h2,4,6,8,10H,1,3,5,7H2
InChIKeyBTAQAIVLVSDIFA-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.05
LogP ≤ 55.10
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

2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine
CID 107307055
2-[(2-bromocyclopentyl)methyl]-1,3-dichlorobenzene
CID 63472924
1-[(2-bromo-5-tert-butylcyclohexyl)methyl]-2,3-dichlorobenzene
CID 107309494
1-[(2-bromocyclohexyl)methyl]-2-fluorobenzene
CID 63471632
N-[(2-bromocyclopentyl)methyl]-2-(2-chlorophenyl)acetamide
CID 113275396
1-(2-bromocyclopentyl)-2,3-dichlorobenzene
CID 63512300
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
1-[(2-bromocyclohexyl)methyl]-3-chlorobenzene
CID 63471819
1-(2-chlorocyclopentyl)-N-[(2,3-dichlorophenyl)methyl]methanamine
CID 107310013
1-[(2-bromocyclohexyl)methyl]-2-fluoro-3-methoxybenzene
CID 104794444
2-[(2-chloro-3-fluorophenyl)methyl]cyclopentan-1-amine
CID 112652653
1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)ethanone
CID 107311389

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromocyclopentyl)methyl]-2,3-dichlorobenzene?
The IUPAC name of 1-[(2-bromocyclopentyl)methyl]-2,3-dichlorobenzene (CID 107309484) is 1-[(2-bromocyclopentyl)methyl]-2,3-dichlorobenzene.
What is the SMILES notation for 1-[(2-bromocyclopentyl)methyl]-2,3-dichlorobenzene?
The canonical SMILES for 1-[(2-bromocyclopentyl)methyl]-2,3-dichlorobenzene is Clc1cccc(CC2CCCC2Br)c1Cl.
What is the InChIKey of 1-[(2-bromocyclopentyl)methyl]-2,3-dichlorobenzene?
The InChIKey is BTAQAIVLVSDIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrCl2/c13-10-5-1-3-8(10)7-9-4-2-6-11(14)12(9)15/h2,4,6,8,10H,1,3,5,7H2.
What are the key properties of 1-[(2-bromocyclopentyl)methyl]-2,3-dichlorobenzene?
1-[(2-bromocyclopentyl)methyl]-2,3-dichlorobenzene has a molecular weight of 308.05 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromocyclopentyl)methyl]-2,3-dichlorobenzene is sourced from PubChem (CID 107309484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).