2-[chloro(cyclobutyl)methyl]-5-ethylthiophene

C11H15ClS — CID 61082733

IUPAC2-[chloro(cyclobutyl)methyl]-5-ethylthiophene
SMILESCCc1ccc(C(Cl)C2CCC2)s1
InChIInChI=1S/C11H15ClS/c1-2-9-6-7-10(13-9)11(12)8-4-3-5-8/h6-8,11H,2-5H2,1H3
InChIKeyJBYMENIRHWXLFA-UHFFFAOYSA-N
MW214.76 g/mol
LogP4.39
Rot. Bonds3

About 2-[chloro(cyclobutyl)methyl]-5-ethylthiophene

2-[chloro(cyclobutyl)methyl]-5-ethylthiophene (PubChem CID 61082733) has the molecular formula C11H15ClS and a molecular weight of 214.76 g/mol. Its IUPAC name is 2-[chloro(cyclobutyl)methyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[chloro(cyclobutyl)methyl]-5-ethylthiophene
PubChem CID61082733
Molecular FormulaC11H15ClS
Molecular Weight214.76 g/mol
Exact Mass214.06
IUPAC Name2-[chloro(cyclobutyl)methyl]-5-ethylthiophene
SMILESCCc1ccc(C(Cl)C2CCC2)s1
InChIInChI=1S/C11H15ClS/c1-2-9-6-7-10(13-9)11(12)8-4-3-5-8/h6-8,11H,2-5H2,1H3
InChIKeyJBYMENIRHWXLFA-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.76
LogP ≤ 54.39
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-butylcyclohexyl)-chloromethyl]-5-ethylthiophene
CID 63430681
2-[chloro-(5-ethylthiophen-2-yl)methyl]oxolane
CID 61082899
2-(1-chloro-2-cyclohexylethyl)-5-ethylthiophene
CID 63431273
cycloheptyl-(5-ethylthiophen-2-yl)methanamine
CID 62587234
(R)-cyclopentyl-(5-ethylthiophen-2-yl)methanamine;hydrochloride
CID 171211749
2-[chloro-(5-ethylthiophen-2-yl)methyl]thiane 1,1-dioxide
CID 104521280
[(5-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313487
1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanol
CID 64986887
2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 114457478
2-cyclohexyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 43103045
3-[chloro-(5-ethylthiophen-2-yl)methyl]-2,4,5-trimethyloxolane
CID 65157651
(5-ethylthiophen-2-yl)-piperidin-3-ylmethanol
CID 43146513

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(cyclobutyl)methyl]-5-ethylthiophene?
The IUPAC name of 2-[chloro(cyclobutyl)methyl]-5-ethylthiophene (CID 61082733) is 2-[chloro(cyclobutyl)methyl]-5-ethylthiophene.
What is the SMILES notation for 2-[chloro(cyclobutyl)methyl]-5-ethylthiophene?
The canonical SMILES for 2-[chloro(cyclobutyl)methyl]-5-ethylthiophene is CCc1ccc(C(Cl)C2CCC2)s1.
What is the InChIKey of 2-[chloro(cyclobutyl)methyl]-5-ethylthiophene?
The InChIKey is JBYMENIRHWXLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClS/c1-2-9-6-7-10(13-9)11(12)8-4-3-5-8/h6-8,11H,2-5H2,1H3.
What are the key properties of 2-[chloro(cyclobutyl)methyl]-5-ethylthiophene?
2-[chloro(cyclobutyl)methyl]-5-ethylthiophene has a molecular weight of 214.76 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(cyclobutyl)methyl]-5-ethylthiophene is sourced from PubChem (CID 61082733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).