3-(3-bromocyclopentyl)thiophene

C9H11BrS — CID 65102125

IUPAC3-(3-bromocyclopentyl)thiophene
SMILESBrC1CCC(c2ccsc2)C1
InChIInChI=1S/C9H11BrS/c10-9-2-1-7(5-9)8-3-4-11-6-8/h3-4,6-7,9H,1-2,5H2
InChIKeyADXGUYCQKMTCGC-UHFFFAOYSA-N
MW231.16 g/mol
LogP3.78
Rot. Bonds1

About 3-(3-bromocyclopentyl)thiophene

3-(3-bromocyclopentyl)thiophene (PubChem CID 65102125) has the molecular formula C9H11BrS and a molecular weight of 231.16 g/mol. Its IUPAC name is 3-(3-bromocyclopentyl)thiophene.

Molecular Properties

Compound Name3-(3-bromocyclopentyl)thiophene
PubChem CID65102125
Molecular FormulaC9H11BrS
Molecular Weight231.16 g/mol
Exact Mass229.98
IUPAC Name3-(3-bromocyclopentyl)thiophene
SMILESBrC1CCC(c2ccsc2)C1
InChIInChI=1S/C9H11BrS/c10-9-2-1-7(5-9)8-3-4-11-6-8/h3-4,6-7,9H,1-2,5H2
InChIKeyADXGUYCQKMTCGC-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.16
LogP ≤ 53.78
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-Bromo-3-hexylthiophene
CID 10960141
3-(6-Bromohexyl)thiophene
CID 11447992
2-Bromo-3-(2-ethylhexyl)thiophene
CID 58098291
3-(3-Bromopropyl)thiophene
CID 53880807
3-Cyclohexylthiophene
CID 1519411
3-Cyclopentylthiophene
CID 1519413
3-(8-Bromooctyl)thiophene
CID 11022119
3-(4-Bromobutyl)thiophene
CID 14591111
3-(5-Bromopentyl)thiophene
CID 14591112
2-Bromo-3-(6-bromohexyl) thiophene
CID 85762952
3-(Cyclopentylmethyl)thiophene
CID 11275219
3-[(1R)-cyclopent-2-en-1-yl]thiophene
CID 162414717

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromocyclopentyl)thiophene?
The IUPAC name of 3-(3-bromocyclopentyl)thiophene (CID 65102125) is 3-(3-bromocyclopentyl)thiophene.
What is the SMILES notation for 3-(3-bromocyclopentyl)thiophene?
The canonical SMILES for 3-(3-bromocyclopentyl)thiophene is BrC1CCC(c2ccsc2)C1.
What is the InChIKey of 3-(3-bromocyclopentyl)thiophene?
The InChIKey is ADXGUYCQKMTCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrS/c10-9-2-1-7(5-9)8-3-4-11-6-8/h3-4,6-7,9H,1-2,5H2.
What are the key properties of 3-(3-bromocyclopentyl)thiophene?
3-(3-bromocyclopentyl)thiophene has a molecular weight of 231.16 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromocyclopentyl)thiophene is sourced from PubChem (CID 65102125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).