1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene

C9H8BrCl — CID 15269278

IUPAC1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene
SMILESClc1cccc([C@H]2C[C@H]2Br)c1
InChIInChI=1S/C9H8BrCl/c10-9-5-8(9)6-2-1-3-7(11)4-6/h1-4,8-9H,5H2/t8-,9-/m1/s1
InChIKeyILZJZXJSCHIBEI-RKDXNWHRSA-N
MW231.52 g/mol
LogP3.59
Rot. Bonds1

About 1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene

1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene (PubChem CID 15269278) has the molecular formula C9H8BrCl and a molecular weight of 231.52 g/mol. Its IUPAC name is 1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene.

Molecular Properties

Compound Name1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene
PubChem CID15269278
Molecular FormulaC9H8BrCl
Molecular Weight231.52 g/mol
Exact Mass229.95
IUPAC Name1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene
SMILESClc1cccc([C@H]2C[C@H]2Br)c1
InChIInChI=1S/C9H8BrCl/c10-9-5-8(9)6-2-1-3-7(11)4-6/h1-4,8-9H,5H2/t8-,9-/m1/s1
InChIKeyILZJZXJSCHIBEI-RKDXNWHRSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.52
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-3-[(1R,2S)-2-cyclopropylcyclopropyl]benzene
CID 54091231
2-(3-chlorophenyl)cyclobutan-1-ol
CID 126971921
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
[2-(3-chlorophenyl)cyclopropyl]boronic acid
CID 156757957
1-[2-(3-chlorophenyl)cyclopropyl]ethanol
CID 53275693
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 131139995
2-(3-chlorophenyl)cyclohexan-1-ol
CID 14382197
2-(3-chlorophenyl)-4-methyl-6-oxabicyclo[3.1.0]hexane
CID 90346557
3-(3-chlorophenyl)-2-ethylcyclobutan-1-ol
CID 81415357
2-(3-chlorophenyl)cyclobutane-1-carbaldehyde
CID 105448643
azane;1,3-dichlorobenzene
CID 67301049

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene?
The IUPAC name of 1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene (CID 15269278) is 1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene.
What is the SMILES notation for 1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene?
The canonical SMILES for 1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene is Clc1cccc([C@H]2C[C@H]2Br)c1.
What is the InChIKey of 1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene?
The InChIKey is ILZJZXJSCHIBEI-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H8BrCl/c10-9-5-8(9)6-2-1-3-7(11)4-6/h1-4,8-9H,5H2/t8-,9-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene?
1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene has a molecular weight of 231.52 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene is sourced from PubChem (CID 15269278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).