2-[2-(3-chlorocyclohexyl)ethyl]thiophene

C12H17ClS — CID 64515904

IUPAC2-[2-(3-chlorocyclohexyl)ethyl]thiophene
SMILESClC1CCCC(CCc2cccs2)C1
InChIInChI=1S/C12H17ClS/c13-11-4-1-3-10(9-11)6-7-12-5-2-8-14-12/h2,5,8,10-11H,1,3-4,6-7,9H2
InChIKeyYDBFKDWQROPUPY-UHFFFAOYSA-N
MW228.79 g/mol
LogP4.48
Rot. Bonds3

About 2-[2-(3-chlorocyclohexyl)ethyl]thiophene

2-[2-(3-chlorocyclohexyl)ethyl]thiophene (PubChem CID 64515904) has the molecular formula C12H17ClS and a molecular weight of 228.79 g/mol. Its IUPAC name is 2-[2-(3-chlorocyclohexyl)ethyl]thiophene.

Molecular Properties

Compound Name2-[2-(3-chlorocyclohexyl)ethyl]thiophene
PubChem CID64515904
Molecular FormulaC12H17ClS
Molecular Weight228.79 g/mol
Exact Mass228.07
IUPAC Name2-[2-(3-chlorocyclohexyl)ethyl]thiophene
SMILESClC1CCCC(CCc2cccs2)C1
InChIInChI=1S/C12H17ClS/c13-11-4-1-3-10(9-11)6-7-12-5-2-8-14-12/h2,5,8,10-11H,1,3-4,6-7,9H2
InChIKeyYDBFKDWQROPUPY-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.79
LogP ≤ 54.48
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-[2-(3-chlorocycloheptyl)ethyl]thiophene
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2-(4-cyclohexylbutyl)thiophene
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2-[2-(2-bromocyclopentyl)ethyl]thiophene
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N-methyl-2-(2-thiophen-2-ylethyl)cyclopentan-1-amine
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CID 64909685
1-cyclohexyl-4-thiophen-2-ylbutan-2-one
CID 114973276
3-cyclopentyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 106010634
1-cyclobutyl-3-thiophen-2-ylpropan-1-one
CID 64982146
3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 107427921
1-cyclopentyl-5-thiophen-2-ylpentan-2-one
CID 105092183
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CID 65023554

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorocyclohexyl)ethyl]thiophene?
The IUPAC name of 2-[2-(3-chlorocyclohexyl)ethyl]thiophene (CID 64515904) is 2-[2-(3-chlorocyclohexyl)ethyl]thiophene.
What is the SMILES notation for 2-[2-(3-chlorocyclohexyl)ethyl]thiophene?
The canonical SMILES for 2-[2-(3-chlorocyclohexyl)ethyl]thiophene is ClC1CCCC(CCc2cccs2)C1.
What is the InChIKey of 2-[2-(3-chlorocyclohexyl)ethyl]thiophene?
The InChIKey is YDBFKDWQROPUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClS/c13-11-4-1-3-10(9-11)6-7-12-5-2-8-14-12/h2,5,8,10-11H,1,3-4,6-7,9H2.
What are the key properties of 2-[2-(3-chlorocyclohexyl)ethyl]thiophene?
2-[2-(3-chlorocyclohexyl)ethyl]thiophene has a molecular weight of 228.79 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorocyclohexyl)ethyl]thiophene is sourced from PubChem (CID 64515904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).