3-chloro-2-(2-chlorocycloheptyl)thiophene

C11H14Cl2S — CID 107360698

IUPAC3-chloro-2-(2-chlorocycloheptyl)thiophene
SMILESClc1ccsc1C1CCCCCC1Cl
InChIInChI=1S/C11H14Cl2S/c12-9-5-3-1-2-4-8(9)11-10(13)6-7-14-11/h6-9H,1-5H2
InChIKeyPLYOGYNWLWZDIA-UHFFFAOYSA-N
MW249.21 g/mol
LogP5.06
Rot. Bonds1

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

3-chloro-2-(2-chlorocycloheptyl)thiophene (PubChem CID 107360698) has the molecular formula C11H14Cl2S and a molecular weight of 249.21 g/mol. Its IUPAC name is 3-chloro-2-(2-chlorocycloheptyl)thiophene.

Molecular Properties

Compound Name3-chloro-2-(2-chlorocycloheptyl)thiophene
PubChem CID107360698
Molecular FormulaC11H14Cl2S
Molecular Weight249.21 g/mol
Exact Mass248.02
IUPAC Name3-chloro-2-(2-chlorocycloheptyl)thiophene
SMILESClc1ccsc1C1CCCCCC1Cl
InChIInChI=1S/C11H14Cl2S/c12-9-5-3-1-2-4-8(9)11-10(13)6-7-14-11/h6-9H,1-5H2
InChIKeyPLYOGYNWLWZDIA-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.21
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-2-(2-chlorocycloheptyl)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-(3-chlorothiophen-2-yl)cycloheptan-1-amine
CID 107360705
N-[[2-(3-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine
CID 107361249
3-chloro-2-[chloro(cyclooctyl)methyl]thiophene
CID 80530285
3-chloro-2-methylthiophene;cyclohexane
CID 174875843
1-chloro-2-(3-chloro-4-methylphenyl)cycloheptane
CID 107560894
4-(2-chlorocyclohexyl)-2-methylthiophene
CID 65104256
3-(3-chlorothiophen-2-yl)pyrrolidine
CID 82655748
2-(1-bromo-3-cyclohexylpropyl)-3-chlorothiophene
CID 80531920
[6-(3-chlorothiophen-2-yl)oxan-2-yl]methanol
CID 127013581
3-(3-chlorothiophen-2-yl)-N-propylcycloheptan-1-amine
CID 107360797
3-chloro-2-[chloro(cyclobutyl)methyl]thiophene
CID 80530412
3-chloro-2-(1-chloro-3-cyclopentylpropyl)thiophene
CID 80530376

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-chlorocycloheptyl)thiophene?
The IUPAC name of 3-chloro-2-(2-chlorocycloheptyl)thiophene (CID 107360698) is 3-chloro-2-(2-chlorocycloheptyl)thiophene.
What is the SMILES notation for 3-chloro-2-(2-chlorocycloheptyl)thiophene?
The canonical SMILES for 3-chloro-2-(2-chlorocycloheptyl)thiophene is Clc1ccsc1C1CCCCCC1Cl.
What is the InChIKey of 3-chloro-2-(2-chlorocycloheptyl)thiophene?
The InChIKey is PLYOGYNWLWZDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2S/c12-9-5-3-1-2-4-8(9)11-10(13)6-7-14-11/h6-9H,1-5H2.
What are the key properties of 3-chloro-2-(2-chlorocycloheptyl)thiophene?
3-chloro-2-(2-chlorocycloheptyl)thiophene has a molecular weight of 249.21 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-chlorocycloheptyl)thiophene is sourced from PubChem (CID 107360698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).