2-chloro-5-[chloro-(1-methylcyclopentyl)methyl]-3-methylthiophene

C12H16Cl2S — CID 102764691

IUPAC2-chloro-5-[chloro-(1-methylcyclopentyl)methyl]-3-methylthiophene
SMILESCc1cc(C(Cl)C2(C)CCCC2)sc1Cl
InChIInChI=1S/C12H16Cl2S/c1-8-7-9(15-11(8)14)10(13)12(2)5-3-4-6-12/h7,10H,3-6H2,1-2H3
InChIKeyMUVRSENLFVAWBQ-UHFFFAOYSA-N
MW263.23 g/mol
LogP5.57
Rot. Bonds2

About 2-chloro-5-[chloro-(1-methylcyclopentyl)methyl]-3-methylthiophene

2-chloro-5-[chloro-(1-methylcyclopentyl)methyl]-3-methylthiophene (PubChem CID 102764691) has the molecular formula C12H16Cl2S and a molecular weight of 263.23 g/mol. Its IUPAC name is 2-chloro-5-[chloro-(1-methylcyclopentyl)methyl]-3-methylthiophene.

Molecular Properties

Compound Name2-chloro-5-[chloro-(1-methylcyclopentyl)methyl]-3-methylthiophene
PubChem CID102764691
Molecular FormulaC12H16Cl2S
Molecular Weight263.23 g/mol
Exact Mass262.03
IUPAC Name2-chloro-5-[chloro-(1-methylcyclopentyl)methyl]-3-methylthiophene
SMILESCc1cc(C(Cl)C2(C)CCCC2)sc1Cl
InChIInChI=1S/C12H16Cl2S/c1-8-7-9(15-11(8)14)10(13)12(2)5-3-4-6-12/h7,10H,3-6H2,1-2H3
InChIKeyMUVRSENLFVAWBQ-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.23
LogP ≤ 55.57
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

(5-chloro-4-methylthiophen-2-yl)-(1-methylcyclopentyl)methanol
CID 102764522
2-chloro-5-[chloro-[1-(2-methylpropyl)cyclopentyl]methyl]-3-methylthiophene
CID 102764676
2-chloro-5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-methylthiophene
CID 102764774
5-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-2-chloro-3-methylthiophene
CID 102764636
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292
2-chloro-5-(1-chloro-2-cyclobutylethyl)-3-methylthiophene
CID 103166064
5-[2-adamantyl(bromo)methyl]-2-chloro-3-methylthiophene
CID 102765040
N-[(5-chloro-4-methylthiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine
CID 102763934
5-[bromo(cycloheptyl)methyl]-2-chloro-3-methylthiophene
CID 102765001
2-chloro-5-(1-chloro-2,2,3,3,3-pentafluoropropyl)-3-methylthiophene
CID 102764813
1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol
CID 102764468
5-[bromo-(2-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene
CID 102764964

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[chloro-(1-methylcyclopentyl)methyl]-3-methylthiophene?
The IUPAC name of 2-chloro-5-[chloro-(1-methylcyclopentyl)methyl]-3-methylthiophene (CID 102764691) is 2-chloro-5-[chloro-(1-methylcyclopentyl)methyl]-3-methylthiophene.
What is the SMILES notation for 2-chloro-5-[chloro-(1-methylcyclopentyl)methyl]-3-methylthiophene?
The canonical SMILES for 2-chloro-5-[chloro-(1-methylcyclopentyl)methyl]-3-methylthiophene is Cc1cc(C(Cl)C2(C)CCCC2)sc1Cl.
What is the InChIKey of 2-chloro-5-[chloro-(1-methylcyclopentyl)methyl]-3-methylthiophene?
The InChIKey is MUVRSENLFVAWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2S/c1-8-7-9(15-11(8)14)10(13)12(2)5-3-4-6-12/h7,10H,3-6H2,1-2H3.
What are the key properties of 2-chloro-5-[chloro-(1-methylcyclopentyl)methyl]-3-methylthiophene?
2-chloro-5-[chloro-(1-methylcyclopentyl)methyl]-3-methylthiophene has a molecular weight of 263.23 g/mol, XLogP of 5.57, 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-(1-methylcyclopentyl)methyl]-3-methylthiophene is sourced from PubChem (CID 102764691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).