4-[(2-bromocyclopentyl)methyl]-2-methylthiophene

C11H15BrS — CID 130558507

IUPAC4-[(2-bromocyclopentyl)methyl]-2-methylthiophene
SMILESCc1cc(CC2CCCC2Br)cs1
InChIInChI=1S/C11H15BrS/c1-8-5-9(7-13-8)6-10-3-2-4-11(10)12/h5,7,10-11H,2-4,6H2,1H3
InChIKeyXYHFJWHORBLGGI-UHFFFAOYSA-N
MW259.21 g/mol
LogP4.16
Rot. Bonds2

About 4-[(2-bromocyclopentyl)methyl]-2-methylthiophene

4-[(2-bromocyclopentyl)methyl]-2-methylthiophene (PubChem CID 130558507) has the molecular formula C11H15BrS and a molecular weight of 259.21 g/mol. Its IUPAC name is 4-[(2-bromocyclopentyl)methyl]-2-methylthiophene.

Molecular Properties

Compound Name4-[(2-bromocyclopentyl)methyl]-2-methylthiophene
PubChem CID130558507
Molecular FormulaC11H15BrS
Molecular Weight259.21 g/mol
Exact Mass258.01
IUPAC Name4-[(2-bromocyclopentyl)methyl]-2-methylthiophene
SMILESCc1cc(CC2CCCC2Br)cs1
InChIInChI=1S/C11H15BrS/c1-8-5-9(7-13-8)6-10-3-2-4-11(10)12/h5,7,10-11H,2-4,6H2,1H3
InChIKeyXYHFJWHORBLGGI-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromocyclopentyl)methyl]-2-methylthiophene?
The IUPAC name of 4-[(2-bromocyclopentyl)methyl]-2-methylthiophene (CID 130558507) is 4-[(2-bromocyclopentyl)methyl]-2-methylthiophene.
What is the SMILES notation for 4-[(2-bromocyclopentyl)methyl]-2-methylthiophene?
The canonical SMILES for 4-[(2-bromocyclopentyl)methyl]-2-methylthiophene is Cc1cc(CC2CCCC2Br)cs1.
What is the InChIKey of 4-[(2-bromocyclopentyl)methyl]-2-methylthiophene?
The InChIKey is XYHFJWHORBLGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrS/c1-8-5-9(7-13-8)6-10-3-2-4-11(10)12/h5,7,10-11H,2-4,6H2,1H3.
What are the key properties of 4-[(2-bromocyclopentyl)methyl]-2-methylthiophene?
4-[(2-bromocyclopentyl)methyl]-2-methylthiophene has a molecular weight of 259.21 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromocyclopentyl)methyl]-2-methylthiophene is sourced from PubChem (CID 130558507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).