4-bromo-2-(3-bromo-2-cyclopentylpropyl)thiophene

C12H16Br2S — CID 112570643

IUPAC4-bromo-2-(3-bromo-2-cyclopentylpropyl)thiophene
SMILESBrCC(Cc1cc(Br)cs1)C1CCCC1
InChIInChI=1S/C12H16Br2S/c13-7-10(9-3-1-2-4-9)5-12-6-11(14)8-15-12/h6,8-10H,1-5,7H2
InChIKeyBFDAXIDXJHUXNG-UHFFFAOYSA-N
MW352.14 g/mol
LogP5.25
Rot. Bonds4

About 4-bromo-2-(3-bromo-2-cyclopentylpropyl)thiophene

4-bromo-2-(3-bromo-2-cyclopentylpropyl)thiophene (PubChem CID 112570643) has the molecular formula C12H16Br2S and a molecular weight of 352.14 g/mol. Its IUPAC name is 4-bromo-2-(3-bromo-2-cyclopentylpropyl)thiophene.

Molecular Properties

Compound Name4-bromo-2-(3-bromo-2-cyclopentylpropyl)thiophene
PubChem CID112570643
Molecular FormulaC12H16Br2S
Molecular Weight352.14 g/mol
Exact Mass349.93
IUPAC Name4-bromo-2-(3-bromo-2-cyclopentylpropyl)thiophene
SMILESBrCC(Cc1cc(Br)cs1)C1CCCC1
InChIInChI=1S/C12H16Br2S/c13-7-10(9-3-1-2-4-9)5-12-6-11(14)8-15-12/h6,8-10H,1-5,7H2
InChIKeyBFDAXIDXJHUXNG-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.14
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-bromothiophen-2-yl)-1-cyclopentylethyl]hydrazine
CID 105204458
[1-(4-bromothiophen-2-yl)-3-cyclopentylpropan-2-yl]hydrazine
CID 105299335
N-[2-(4-bromothiophen-2-yl)-1-cyclooctylethyl]propan-1-amine
CID 80611200
1-bromo-3-(3-bromo-2-cyclopentylpropyl)-5-fluorobenzene
CID 112570523
4-bromo-2-(3-bromo-2-methylpropyl)thiophene
CID 66050484
N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
CID 63478526
2-(4-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105139327
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(4-bromothiophen-2-yl)-N-methylethanamine
CID 115847876
2-(4-bromothiophen-2-yl)-1-(4-methylcyclohexyl)ethanol
CID 62608065
2-(4-bromothiophen-2-yl)-1-(2-methylcyclopentyl)ethanol
CID 107192192
4-bromo-2-(cyclohexylsulfanylmethyl)thiophene
CID 63457423
2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 65425884

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-bromo-2-cyclopentylpropyl)thiophene?
The IUPAC name of 4-bromo-2-(3-bromo-2-cyclopentylpropyl)thiophene (CID 112570643) is 4-bromo-2-(3-bromo-2-cyclopentylpropyl)thiophene.
What is the SMILES notation for 4-bromo-2-(3-bromo-2-cyclopentylpropyl)thiophene?
The canonical SMILES for 4-bromo-2-(3-bromo-2-cyclopentylpropyl)thiophene is BrCC(Cc1cc(Br)cs1)C1CCCC1.
What is the InChIKey of 4-bromo-2-(3-bromo-2-cyclopentylpropyl)thiophene?
The InChIKey is BFDAXIDXJHUXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2S/c13-7-10(9-3-1-2-4-9)5-12-6-11(14)8-15-12/h6,8-10H,1-5,7H2.
What are the key properties of 4-bromo-2-(3-bromo-2-cyclopentylpropyl)thiophene?
4-bromo-2-(3-bromo-2-cyclopentylpropyl)thiophene has a molecular weight of 352.14 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-bromo-2-cyclopentylpropyl)thiophene is sourced from PubChem (CID 112570643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).