2-[2-(3-chlorocycloheptyl)ethyl]thiophene

C13H19ClS — CID 64507957

IUPAC2-[2-(3-chlorocycloheptyl)ethyl]thiophene
SMILESClC1CCCCC(CCc2cccs2)C1
InChIInChI=1S/C13H19ClS/c14-12-5-2-1-4-11(10-12)7-8-13-6-3-9-15-13/h3,6,9,11-12H,1-2,4-5,7-8,10H2
InChIKeyQMOPPWDWQPBMSP-UHFFFAOYSA-N
MW242.81 g/mol
LogP4.87
Rot. Bonds3

About 2-[2-(3-chlorocycloheptyl)ethyl]thiophene

2-[2-(3-chlorocycloheptyl)ethyl]thiophene (PubChem CID 64507957) has the molecular formula C13H19ClS and a molecular weight of 242.81 g/mol. Its IUPAC name is 2-[2-(3-chlorocycloheptyl)ethyl]thiophene.

Molecular Properties

Compound Name2-[2-(3-chlorocycloheptyl)ethyl]thiophene
PubChem CID64507957
Molecular FormulaC13H19ClS
Molecular Weight242.81 g/mol
Exact Mass242.09
IUPAC Name2-[2-(3-chlorocycloheptyl)ethyl]thiophene
SMILESClC1CCCCC(CCc2cccs2)C1
InChIInChI=1S/C13H19ClS/c14-12-5-2-1-4-11(10-12)7-8-13-6-3-9-15-13/h3,6,9,11-12H,1-2,4-5,7-8,10H2
InChIKeyQMOPPWDWQPBMSP-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.81
LogP ≤ 54.87
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

2-[2-(3-chlorocyclohexyl)ethyl]thiophene
CID 64515904
2-(4-cyclohexylbutyl)thiophene
CID 142713613
1,3-dichloro-5-[2-(3-chlorocyclopentyl)ethyl]benzene;ethane;2-propylthiophene
CID 144960746
3-cyclopentyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 106010634
1-cyclohexyl-4-thiophen-2-ylbutan-2-one
CID 114973276
1-cyclopentyl-5-thiophen-2-ylpentan-2-one
CID 105092183
1-cyclopentyl-6-thiophen-2-ylhexan-3-ol
CID 114193701
2-[2-(3-chloro-2-methylcyclopentyl)ethyl]thiophene
CID 64909685
2-(2-thiophen-2-ylethyl)cyclohexan-1-one
CID 63773659
1-cyclohexyl-4-thiophen-2-ylbutan-2-amine
CID 115860772
2-[2-(3-chlorocyclohepten-1-yl)ethyl]thiophene
CID 107383981
2-[2-(2-bromocyclopentyl)ethyl]thiophene
CID 63774443

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorocycloheptyl)ethyl]thiophene?
The IUPAC name of 2-[2-(3-chlorocycloheptyl)ethyl]thiophene (CID 64507957) is 2-[2-(3-chlorocycloheptyl)ethyl]thiophene.
What is the SMILES notation for 2-[2-(3-chlorocycloheptyl)ethyl]thiophene?
The canonical SMILES for 2-[2-(3-chlorocycloheptyl)ethyl]thiophene is ClC1CCCCC(CCc2cccs2)C1.
What is the InChIKey of 2-[2-(3-chlorocycloheptyl)ethyl]thiophene?
The InChIKey is QMOPPWDWQPBMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClS/c14-12-5-2-1-4-11(10-12)7-8-13-6-3-9-15-13/h3,6,9,11-12H,1-2,4-5,7-8,10H2.
What are the key properties of 2-[2-(3-chlorocycloheptyl)ethyl]thiophene?
2-[2-(3-chlorocycloheptyl)ethyl]thiophene has a molecular weight of 242.81 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorocycloheptyl)ethyl]thiophene is sourced from PubChem (CID 64507957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).