2-chloro-4-[(2-chlorocyclopentyl)methyl]thiophene

C10H12Cl2S — CID 131071027

IUPAC2-chloro-4-[(2-chlorocyclopentyl)methyl]thiophene
SMILESClc1cc(CC2CCCC2Cl)cs1
InChIInChI=1S/C10H12Cl2S/c11-9-3-1-2-8(9)4-7-5-10(12)13-6-7/h5-6,8-9H,1-4H2
InChIKeySUQJWVUVKVJMMV-UHFFFAOYSA-N
MW235.18 g/mol
LogP4.35
Rot. Bonds2

About 2-chloro-4-[(2-chlorocyclopentyl)methyl]thiophene

2-chloro-4-[(2-chlorocyclopentyl)methyl]thiophene (PubChem CID 131071027) has the molecular formula C10H12Cl2S and a molecular weight of 235.18 g/mol. Its IUPAC name is 2-chloro-4-[(2-chlorocyclopentyl)methyl]thiophene.

Molecular Properties

Compound Name2-chloro-4-[(2-chlorocyclopentyl)methyl]thiophene
PubChem CID131071027
Molecular FormulaC10H12Cl2S
Molecular Weight235.18 g/mol
Exact Mass234.00
IUPAC Name2-chloro-4-[(2-chlorocyclopentyl)methyl]thiophene
SMILESClc1cc(CC2CCCC2Cl)cs1
InChIInChI=1S/C10H12Cl2S/c11-9-3-1-2-8(9)4-7-5-10(12)13-6-7/h5-6,8-9H,1-4H2
InChIKeySUQJWVUVKVJMMV-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-chlorocyclopentyl)methyl]thiophene?
The IUPAC name of 2-chloro-4-[(2-chlorocyclopentyl)methyl]thiophene (CID 131071027) is 2-chloro-4-[(2-chlorocyclopentyl)methyl]thiophene.
What is the SMILES notation for 2-chloro-4-[(2-chlorocyclopentyl)methyl]thiophene?
The canonical SMILES for 2-chloro-4-[(2-chlorocyclopentyl)methyl]thiophene is Clc1cc(CC2CCCC2Cl)cs1.
What is the InChIKey of 2-chloro-4-[(2-chlorocyclopentyl)methyl]thiophene?
The InChIKey is SUQJWVUVKVJMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2S/c11-9-3-1-2-8(9)4-7-5-10(12)13-6-7/h5-6,8-9H,1-4H2.
What are the key properties of 2-chloro-4-[(2-chlorocyclopentyl)methyl]thiophene?
2-chloro-4-[(2-chlorocyclopentyl)methyl]thiophene has a molecular weight of 235.18 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-chlorocyclopentyl)methyl]thiophene is sourced from PubChem (CID 131071027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).