2-chloro-5-[chloro-(2-methylcyclopentyl)methyl]thiophene

C11H14Cl2S — CID 107182037

IUPAC2-chloro-5-[chloro-(2-methylcyclopentyl)methyl]thiophene
SMILESCC1CCCC1C(Cl)c1ccc(Cl)s1
InChIInChI=1S/C11H14Cl2S/c1-7-3-2-4-8(7)11(13)9-5-6-10(12)14-9/h5-8,11H,2-4H2,1H3
InChIKeyLGTKRXFDBQXIFN-UHFFFAOYSA-N
MW249.21 g/mol
LogP5.12
Rot. Bonds2

About 2-chloro-5-[chloro-(2-methylcyclopentyl)methyl]thiophene

2-chloro-5-[chloro-(2-methylcyclopentyl)methyl]thiophene (PubChem CID 107182037) has the molecular formula C11H14Cl2S and a molecular weight of 249.21 g/mol. Its IUPAC name is 2-chloro-5-[chloro-(2-methylcyclopentyl)methyl]thiophene.

Molecular Properties

Compound Name2-chloro-5-[chloro-(2-methylcyclopentyl)methyl]thiophene
PubChem CID107182037
Molecular FormulaC11H14Cl2S
Molecular Weight249.21 g/mol
Exact Mass248.02
IUPAC Name2-chloro-5-[chloro-(2-methylcyclopentyl)methyl]thiophene
SMILESCC1CCCC1C(Cl)c1ccc(Cl)s1
InChIInChI=1S/C11H14Cl2S/c1-7-3-2-4-8(7)11(13)9-5-6-10(12)14-9/h5-8,11H,2-4H2,1H3
InChIKeyLGTKRXFDBQXIFN-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.21
LogP ≤ 55.12
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-bromo-5-[chloro-(2-methylcyclopentyl)methyl]thiophene
CID 107182115
N-[(5-chlorothiophen-2-yl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107177424
2-[chloro-(2-methylcyclopentyl)methyl]thiophene
CID 107181986
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine
CID 130718926
(R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride
CID 171200582
(5-chlorothiophen-2-yl)-(3,4-dimethylcyclohexyl)methanol
CID 64738002
1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine
CID 115863512
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3-dimethylcyclopentan-1-amine
CID 64910199
N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine
CID 43427139
2-(5-chlorothiophen-2-yl)-2-cyclobutylacetic acid
CID 68972905
1-(5-chlorothiophen-2-yl)-N-(cyclobutylmethyl)propan-1-amine
CID 115713294
N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine
CID 43497051

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[chloro-(2-methylcyclopentyl)methyl]thiophene?
The IUPAC name of 2-chloro-5-[chloro-(2-methylcyclopentyl)methyl]thiophene (CID 107182037) is 2-chloro-5-[chloro-(2-methylcyclopentyl)methyl]thiophene.
What is the SMILES notation for 2-chloro-5-[chloro-(2-methylcyclopentyl)methyl]thiophene?
The canonical SMILES for 2-chloro-5-[chloro-(2-methylcyclopentyl)methyl]thiophene is CC1CCCC1C(Cl)c1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-[chloro-(2-methylcyclopentyl)methyl]thiophene?
The InChIKey is LGTKRXFDBQXIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2S/c1-7-3-2-4-8(7)11(13)9-5-6-10(12)14-9/h5-8,11H,2-4H2,1H3.
What are the key properties of 2-chloro-5-[chloro-(2-methylcyclopentyl)methyl]thiophene?
2-chloro-5-[chloro-(2-methylcyclopentyl)methyl]thiophene has a molecular weight of 249.21 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[chloro-(2-methylcyclopentyl)methyl]thiophene is sourced from PubChem (CID 107182037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).