2-bromo-5-(3-chloro-2-cyclopentylpropyl)thiophene

C12H16BrClS — CID 112570449

IUPAC2-bromo-5-(3-chloro-2-cyclopentylpropyl)thiophene
SMILESClCC(Cc1ccc(Br)s1)C1CCCC1
InChIInChI=1S/C12H16BrClS/c13-12-6-5-11(15-12)7-10(8-14)9-3-1-2-4-9/h5-6,9-10H,1-4,7-8H2
InChIKeyOJQCFIDMXRQHFK-UHFFFAOYSA-N
MW307.68 g/mol
LogP5.10
Rot. Bonds4

About 2-bromo-5-(3-chloro-2-cyclopentylpropyl)thiophene

2-bromo-5-(3-chloro-2-cyclopentylpropyl)thiophene (PubChem CID 112570449) has the molecular formula C12H16BrClS and a molecular weight of 307.68 g/mol. Its IUPAC name is 2-bromo-5-(3-chloro-2-cyclopentylpropyl)thiophene.

Molecular Properties

Compound Name2-bromo-5-(3-chloro-2-cyclopentylpropyl)thiophene
PubChem CID112570449
Molecular FormulaC12H16BrClS
Molecular Weight307.68 g/mol
Exact Mass305.98
IUPAC Name2-bromo-5-(3-chloro-2-cyclopentylpropyl)thiophene
SMILESClCC(Cc1ccc(Br)s1)C1CCCC1
InChIInChI=1S/C12H16BrClS/c13-12-6-5-11(15-12)7-10(8-14)9-3-1-2-4-9/h5-6,9-10H,1-4,7-8H2
InChIKeyOJQCFIDMXRQHFK-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.68
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-5-(3-chloro-2-cyclopentylpropyl)thiophene 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-(2-bromophenyl)-3-chloropropan-2-yl]cycloheptane
CID 82945808
[1-(5-bromothiophen-2-yl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105295656
2-bromo-5-(3-chloro-2-methylpropyl)thiophene
CID 66036533
[2-(5-bromothiophen-2-yl)-1-cyclopropylethyl]hydrazine
CID 105202339
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine
CID 62632475
[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 105295777
2-(5-bromothiophen-2-yl)-1-(oxan-3-yl)ethanamine
CID 65332288
2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423025
N-[1-(5-bromothiophen-2-yl)propan-2-yl]cyclopropanamine
CID 82484308
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
1-(3-chloro-2-cyclopentylpropyl)naphthalene
CID 112570471
3-(5-bromothiophen-2-yl)-1-cyclohexyl-N-ethyl-1-methoxypropan-2-amine
CID 116771653

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-chloro-2-cyclopentylpropyl)thiophene?
The IUPAC name of 2-bromo-5-(3-chloro-2-cyclopentylpropyl)thiophene (CID 112570449) is 2-bromo-5-(3-chloro-2-cyclopentylpropyl)thiophene.
What is the SMILES notation for 2-bromo-5-(3-chloro-2-cyclopentylpropyl)thiophene?
The canonical SMILES for 2-bromo-5-(3-chloro-2-cyclopentylpropyl)thiophene is ClCC(Cc1ccc(Br)s1)C1CCCC1.
What is the InChIKey of 2-bromo-5-(3-chloro-2-cyclopentylpropyl)thiophene?
The InChIKey is OJQCFIDMXRQHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClS/c13-12-6-5-11(15-12)7-10(8-14)9-3-1-2-4-9/h5-6,9-10H,1-4,7-8H2.
What are the key properties of 2-bromo-5-(3-chloro-2-cyclopentylpropyl)thiophene?
2-bromo-5-(3-chloro-2-cyclopentylpropyl)thiophene has a molecular weight of 307.68 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-chloro-2-cyclopentylpropyl)thiophene is sourced from PubChem (CID 112570449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).