2-(2-chloro-3-ethylpentyl)thiophene

C11H17ClS — CID 63520573

IUPAC2-(2-chloro-3-ethylpentyl)thiophene
SMILESCCC(CC)C(Cl)Cc1cccs1
InChIInChI=1S/C11H17ClS/c1-3-9(4-2)11(12)8-10-6-5-7-13-10/h5-7,9,11H,3-4,8H2,1-2H3
InChIKeyAPXMXPNONQIMSS-UHFFFAOYSA-N
MW216.78 g/mol
LogP4.33
Rot. Bonds5

About 2-(2-chloro-3-ethylpentyl)thiophene

2-(2-chloro-3-ethylpentyl)thiophene (PubChem CID 63520573) has the molecular formula C11H17ClS and a molecular weight of 216.78 g/mol. Its IUPAC name is 2-(2-chloro-3-ethylpentyl)thiophene.

Molecular Properties

Compound Name2-(2-chloro-3-ethylpentyl)thiophene
PubChem CID63520573
Molecular FormulaC11H17ClS
Molecular Weight216.78 g/mol
Exact Mass216.07
IUPAC Name2-(2-chloro-3-ethylpentyl)thiophene
SMILESCCC(CC)C(Cl)Cc1cccs1
InChIInChI=1S/C11H17ClS/c1-3-9(4-2)11(12)8-10-6-5-7-13-10/h5-7,9,11H,3-4,8H2,1-2H3
InChIKeyAPXMXPNONQIMSS-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.78
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-chloro-3-ethylpentyl)thiophene with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-chloro-3-ethylheptyl)thiophene
CID 63519016
2-[2-(chloromethyl)butyl]thiophene
CID 66035000
N-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine
CID 61000963
3-methyl-1-thiophen-2-ylpentan-2-amine
CID 61079599
2-(2-bromo-3-methylpentyl)thiophene
CID 63017436
4-ethyl-1-thiophen-2-ylhexan-3-ol
CID 65148531
1-chloro-3-thiophen-2-ylpropan-2-ol
CID 82254078
4-methyl-5-thiophen-2-ylpentan-2-amine
CID 64721186
3-methoxy-1-thiophen-2-ylpentan-2-amine
CID 116715036
3-methoxy-1-thiophen-2-ylbutan-2-ol
CID 79616428
2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]thiophene
CID 55149357
2-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 55149169

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-ethylpentyl)thiophene?
The IUPAC name of 2-(2-chloro-3-ethylpentyl)thiophene (CID 63520573) is 2-(2-chloro-3-ethylpentyl)thiophene.
What is the SMILES notation for 2-(2-chloro-3-ethylpentyl)thiophene?
The canonical SMILES for 2-(2-chloro-3-ethylpentyl)thiophene is CCC(CC)C(Cl)Cc1cccs1.
What is the InChIKey of 2-(2-chloro-3-ethylpentyl)thiophene?
The InChIKey is APXMXPNONQIMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClS/c1-3-9(4-2)11(12)8-10-6-5-7-13-10/h5-7,9,11H,3-4,8H2,1-2H3.
What are the key properties of 2-(2-chloro-3-ethylpentyl)thiophene?
2-(2-chloro-3-ethylpentyl)thiophene has a molecular weight of 216.78 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-ethylpentyl)thiophene is sourced from PubChem (CID 63520573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).