2-[chloro-(2-methylcyclopentyl)methyl]thiophene

C11H15ClS — CID 107181986

IUPAC2-[chloro-(2-methylcyclopentyl)methyl]thiophene
SMILESCC1CCCC1C(Cl)c1cccs1
InChIInChI=1S/C11H15ClS/c1-8-4-2-5-9(8)11(12)10-6-3-7-13-10/h3,6-9,11H,2,4-5H2,1H3
InChIKeyNKFSHJBLYYKAEF-UHFFFAOYSA-N
MW214.76 g/mol
LogP4.46
Rot. Bonds2

About 2-[chloro-(2-methylcyclopentyl)methyl]thiophene

2-[chloro-(2-methylcyclopentyl)methyl]thiophene (PubChem CID 107181986) has the molecular formula C11H15ClS and a molecular weight of 214.76 g/mol. Its IUPAC name is 2-[chloro-(2-methylcyclopentyl)methyl]thiophene.

Molecular Properties

Compound Name2-[chloro-(2-methylcyclopentyl)methyl]thiophene
PubChem CID107181986
Molecular FormulaC11H15ClS
Molecular Weight214.76 g/mol
Exact Mass214.06
IUPAC Name2-[chloro-(2-methylcyclopentyl)methyl]thiophene
SMILESCC1CCCC1C(Cl)c1cccs1
InChIInChI=1S/C11H15ClS/c1-8-4-2-5-9(8)11(12)10-6-3-7-13-10/h3,6-9,11H,2,4-5H2,1H3
InChIKeyNKFSHJBLYYKAEF-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.76
LogP ≤ 54.46
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-[chloro-(3-methylcyclohexyl)methyl]thiophene
CID 131021308
2-chloro-5-[chloro-(2-methylcyclopentyl)methyl]thiophene
CID 107182037
2-bromo-5-[chloro-(2-methylcyclopentyl)methyl]thiophene
CID 107182115
1-benzyl-4-[chloro-(2-methylcyclopentyl)methyl]benzene
CID 107182438
1-[chloro-(2-methylcyclopentyl)methyl]naphthalene
CID 107182429
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanamine
CID 16642687
N-ethyl-1-(2-methylcyclopentyl)-2-thiophen-2-ylethanamine
CID 107179496
N-methyl-1-(2-methylcyclopentyl)-3-thiophen-2-ylpropan-1-amine
CID 107188935
1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]-1-thiophen-2-ylmethanamine
CID 107417281
N-methyl-N-(2-methylcyclohexyl)-1-thiophen-2-ylethane-1,2-diamine
CID 55004874
1-[chloro-(2-methylcyclopentyl)methyl]-4-(2-methylbutan-2-yl)benzene
CID 107182463
2-propan-2-ylthiophene
CID 178128598

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(2-methylcyclopentyl)methyl]thiophene?
The IUPAC name of 2-[chloro-(2-methylcyclopentyl)methyl]thiophene (CID 107181986) is 2-[chloro-(2-methylcyclopentyl)methyl]thiophene.
What is the SMILES notation for 2-[chloro-(2-methylcyclopentyl)methyl]thiophene?
The canonical SMILES for 2-[chloro-(2-methylcyclopentyl)methyl]thiophene is CC1CCCC1C(Cl)c1cccs1.
What is the InChIKey of 2-[chloro-(2-methylcyclopentyl)methyl]thiophene?
The InChIKey is NKFSHJBLYYKAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClS/c1-8-4-2-5-9(8)11(12)10-6-3-7-13-10/h3,6-9,11H,2,4-5H2,1H3.
What are the key properties of 2-[chloro-(2-methylcyclopentyl)methyl]thiophene?
2-[chloro-(2-methylcyclopentyl)methyl]thiophene has a molecular weight of 214.76 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(2-methylcyclopentyl)methyl]thiophene is sourced from PubChem (CID 107181986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).