3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene

C11H14BrClS — CID 80536031

IUPAC3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene
SMILESClC(CC1CCCC1)c1sccc1Br
InChIInChI=1S/C11H14BrClS/c12-9-5-6-14-11(9)10(13)7-8-3-1-2-4-8/h5-6,8,10H,1-4,7H2
InChIKeyZKZDEMYKQRXWJN-UHFFFAOYSA-N
MW293.66 g/mol
LogP5.37
Rot. Bonds3

About 3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene

3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene (PubChem CID 80536031) has the molecular formula C11H14BrClS and a molecular weight of 293.66 g/mol. Its IUPAC name is 3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene.

Molecular Properties

Compound Name3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene
PubChem CID80536031
Molecular FormulaC11H14BrClS
Molecular Weight293.66 g/mol
Exact Mass291.97
IUPAC Name3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene
SMILESClC(CC1CCCC1)c1sccc1Br
InChIInChI=1S/C11H14BrClS/c12-9-5-6-14-11(9)10(13)7-8-3-1-2-4-8/h5-6,8,10H,1-4,7H2
InChIKeyZKZDEMYKQRXWJN-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.66
LogP ≤ 55.37
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

3-bromo-2-(1-bromo-2-cyclopentylethyl)thiophene
CID 80536775
3-bromo-2-[chloro(cyclopropyl)methyl]thiophene
CID 80536056
(1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine
CID 130739172
(S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine
CID 130055125
1-bromo-4-(1-chloro-2-cyclobutylethyl)benzene
CID 103165570
[1-(3-bromothiophen-2-yl)-3-cyclohexylpropyl]hydrazine
CID 105327876
[1-(3-bromothiophen-2-yl)-2-(thian-4-yl)ethyl]hydrazine
CID 105327985
2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-fluorobenzene
CID 79742311
1-(3-bromothiophen-2-yl)-3-cycloheptylpropan-2-ol
CID 115790916
3-chloro-2-(1-chloro-3-cyclopentylpropyl)thiophene
CID 80530376
(R)-(3-bromothiophen-2-yl)-cyclobutylmethanamine;hydrochloride
CID 171211024
3-bromo-2-[2-(4-bromophenyl)-1-chloroethyl]thiophene
CID 63800008

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene?
The IUPAC name of 3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene (CID 80536031) is 3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene.
What is the SMILES notation for 3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene?
The canonical SMILES for 3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene is ClC(CC1CCCC1)c1sccc1Br.
What is the InChIKey of 3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene?
The InChIKey is ZKZDEMYKQRXWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClS/c12-9-5-6-14-11(9)10(13)7-8-3-1-2-4-8/h5-6,8,10H,1-4,7H2.
What are the key properties of 3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene?
3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene has a molecular weight of 293.66 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene is sourced from PubChem (CID 80536031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).