2-bromo-5-[(3-chlorocyclopentyl)methyl]thiophene

C10H12BrClS — CID 64515641

IUPAC2-bromo-5-[(3-chlorocyclopentyl)methyl]thiophene
SMILESClC1CCC(Cc2ccc(Br)s2)C1
InChIInChI=1S/C10H12BrClS/c11-10-4-3-9(13-10)6-7-1-2-8(12)5-7/h3-4,7-8H,1-2,5-6H2
InChIKeyVQAQILUXNIOPCZ-UHFFFAOYSA-N
MW279.63 g/mol
LogP4.46
Rot. Bonds2

About 2-bromo-5-[(3-chlorocyclopentyl)methyl]thiophene

2-bromo-5-[(3-chlorocyclopentyl)methyl]thiophene (PubChem CID 64515641) has the molecular formula C10H12BrClS and a molecular weight of 279.63 g/mol. Its IUPAC name is 2-bromo-5-[(3-chlorocyclopentyl)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[(3-chlorocyclopentyl)methyl]thiophene
PubChem CID64515641
Molecular FormulaC10H12BrClS
Molecular Weight279.63 g/mol
Exact Mass277.95
IUPAC Name2-bromo-5-[(3-chlorocyclopentyl)methyl]thiophene
SMILESClC1CCC(Cc2ccc(Br)s2)C1
InChIInChI=1S/C10H12BrClS/c11-10-4-3-9(13-10)6-7-1-2-8(12)5-7/h3-4,7-8H,1-2,5-6H2
InChIKeyVQAQILUXNIOPCZ-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 ≤ 500279.63
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-bromo-5-[(3-chlorocycloheptyl)methyl]thiophene
CID 64509536
4-[(5-bromothiophen-2-yl)methyl]piperidine
CID 82049677
2-bromo-5-[(2-chloro-5-methylcyclohexyl)methyl]thiophene
CID 63461149
2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
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2-[(5-bromothiophen-2-yl)methyl]cyclopropane-1-carboxylic acid
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2-bromo-5-[(2-chloro-5-phenylcyclohexyl)methyl]thiophene
CID 63472734
N-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64501545
3-[(5-bromothiophen-2-yl)methyl]oxan-4-ol
CID 106471228
2-[(5-bromothiophen-2-yl)methyl-(cyclopropylmethyl)amino]acetic acid
CID 43656628
3-[(5-bromothiophen-2-yl)methyl]piperidin-4-ol
CID 114451849
N-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine
CID 81026091
4-[(5-bromothiophen-2-yl)methyl]-3-chloro-2,2-dimethyloxolane
CID 131209242

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(3-chlorocyclopentyl)methyl]thiophene?
The IUPAC name of 2-bromo-5-[(3-chlorocyclopentyl)methyl]thiophene (CID 64515641) is 2-bromo-5-[(3-chlorocyclopentyl)methyl]thiophene.
What is the SMILES notation for 2-bromo-5-[(3-chlorocyclopentyl)methyl]thiophene?
The canonical SMILES for 2-bromo-5-[(3-chlorocyclopentyl)methyl]thiophene is ClC1CCC(Cc2ccc(Br)s2)C1.
What is the InChIKey of 2-bromo-5-[(3-chlorocyclopentyl)methyl]thiophene?
The InChIKey is VQAQILUXNIOPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClS/c11-10-4-3-9(13-10)6-7-1-2-8(12)5-7/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 2-bromo-5-[(3-chlorocyclopentyl)methyl]thiophene?
2-bromo-5-[(3-chlorocyclopentyl)methyl]thiophene has a molecular weight of 279.63 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-bromo-5-[(3-chlorocyclopentyl)methyl]thiophene is sourced from PubChem (CID 64515641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).