2-chloro-5-(1-chloro-2-cyclobutylethyl)-3-methylthiophene

C11H14Cl2S — CID 103166064

IUPAC2-chloro-5-(1-chloro-2-cyclobutylethyl)-3-methylthiophene
SMILESCc1cc(C(Cl)CC2CCC2)sc1Cl
InChIInChI=1S/C11H14Cl2S/c1-7-5-10(14-11(7)13)9(12)6-8-3-2-4-8/h5,8-9H,2-4,6H2,1H3
InChIKeyXIWXABCQWNCJNG-UHFFFAOYSA-N
MW249.21 g/mol
LogP5.18
Rot. Bonds3

About 2-chloro-5-(1-chloro-2-cyclobutylethyl)-3-methylthiophene

2-chloro-5-(1-chloro-2-cyclobutylethyl)-3-methylthiophene (PubChem CID 103166064) has the molecular formula C11H14Cl2S and a molecular weight of 249.21 g/mol. Its IUPAC name is 2-chloro-5-(1-chloro-2-cyclobutylethyl)-3-methylthiophene.

Molecular Properties

Compound Name2-chloro-5-(1-chloro-2-cyclobutylethyl)-3-methylthiophene
PubChem CID103166064
Molecular FormulaC11H14Cl2S
Molecular Weight249.21 g/mol
Exact Mass248.02
IUPAC Name2-chloro-5-(1-chloro-2-cyclobutylethyl)-3-methylthiophene
SMILESCc1cc(C(Cl)CC2CCC2)sc1Cl
InChIInChI=1S/C11H14Cl2S/c1-7-5-10(14-11(7)13)9(12)6-8-3-2-4-8/h5,8-9H,2-4,6H2,1H3
InChIKeyXIWXABCQWNCJNG-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.21
LogP ≤ 55.18
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-chloro-5-(1-chloro-2-cycloheptylethyl)thiophene
CID 102836528
5-[bromo(cycloheptyl)methyl]-2-chloro-3-methylthiophene
CID 102765001
1-(5-chloro-4-methylthiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine
CID 102763726
N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine
CID 102763969
5-bromo-3-(1-chloro-2-cyclobutylethyl)-2-methylthiophene
CID 103165928
1-(5-chloro-4-methylthiophen-2-yl)-2-cyclopropylpropan-1-amine
CID 102763474
2-chloro-5-[chloro(2,3-dihydro-1H-inden-2-yl)methyl]-3-methylthiophene
CID 106893999
2-(1-chloro-2-cyclohexylethyl)-5-ethylthiophene
CID 63431273
1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclobutylethanol
CID 103165549
(5-chloro-4-methylthiophen-2-yl)-piperidin-4-ylmethanol
CID 102764357
2-chloro-5-[chloro-(1-methylcyclopentyl)methyl]-3-methylthiophene
CID 102764691
1-(1-chloro-2-cyclopentylethyl)-2,4-dimethylbenzene
CID 63429933

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-chloro-2-cyclobutylethyl)-3-methylthiophene?
The IUPAC name of 2-chloro-5-(1-chloro-2-cyclobutylethyl)-3-methylthiophene (CID 103166064) is 2-chloro-5-(1-chloro-2-cyclobutylethyl)-3-methylthiophene.
What is the SMILES notation for 2-chloro-5-(1-chloro-2-cyclobutylethyl)-3-methylthiophene?
The canonical SMILES for 2-chloro-5-(1-chloro-2-cyclobutylethyl)-3-methylthiophene is Cc1cc(C(Cl)CC2CCC2)sc1Cl.
What is the InChIKey of 2-chloro-5-(1-chloro-2-cyclobutylethyl)-3-methylthiophene?
The InChIKey is XIWXABCQWNCJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2S/c1-7-5-10(14-11(7)13)9(12)6-8-3-2-4-8/h5,8-9H,2-4,6H2,1H3.
What are the key properties of 2-chloro-5-(1-chloro-2-cyclobutylethyl)-3-methylthiophene?
2-chloro-5-(1-chloro-2-cyclobutylethyl)-3-methylthiophene has a molecular weight of 249.21 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-chloro-2-cyclobutylethyl)-3-methylthiophene is sourced from PubChem (CID 103166064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).