2-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-5-ethylthiophene

C15H22Cl2S — CID 112571110

IUPAC2-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-5-ethylthiophene
SMILESCCc1ccc(CC(CCl)(CCl)C2CCCC2)s1
InChIInChI=1S/C15H22Cl2S/c1-2-13-7-8-14(18-13)9-15(10-16,11-17)12-5-3-4-6-12/h7-8,12H,2-6,9-11H2,1H3
InChIKeyRRIFXYFPGSAWJW-UHFFFAOYSA-N
MW305.31 g/mol
LogP5.51
Rot. Bonds6

About 2-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-5-ethylthiophene

2-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-5-ethylthiophene (PubChem CID 112571110) has the molecular formula C15H22Cl2S and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-5-ethylthiophene
PubChem CID112571110
Molecular FormulaC15H22Cl2S
Molecular Weight305.31 g/mol
Exact Mass304.08
IUPAC Name2-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-5-ethylthiophene
SMILESCCc1ccc(CC(CCl)(CCl)C2CCCC2)s1
InChIInChI=1S/C15H22Cl2S/c1-2-13-7-8-14(18-13)9-15(10-16,11-17)12-5-3-4-6-12/h7-8,12H,2-6,9-11H2,1H3
InChIKeyRRIFXYFPGSAWJW-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.31
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-5-ethylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-5-ethylthiophene?
The IUPAC name of 2-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-5-ethylthiophene (CID 112571110) is 2-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-5-ethylthiophene.
What is the SMILES notation for 2-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-5-ethylthiophene?
The canonical SMILES for 2-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-5-ethylthiophene is CCc1ccc(CC(CCl)(CCl)C2CCCC2)s1.
What is the InChIKey of 2-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-5-ethylthiophene?
The InChIKey is RRIFXYFPGSAWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2S/c1-2-13-7-8-14(18-13)9-15(10-16,11-17)12-5-3-4-6-12/h7-8,12H,2-6,9-11H2,1H3.
What are the key properties of 2-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-5-ethylthiophene?
2-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-5-ethylthiophene has a molecular weight of 305.31 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-5-ethylthiophene is sourced from PubChem (CID 112571110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).