2-(3-bromo-1-methylcyclopentyl)-5-chlorothiophene

C10H12BrClS — CID 116540633

IUPAC2-(3-bromo-1-methylcyclopentyl)-5-chlorothiophene
SMILESCC1(c2ccc(Cl)s2)CCC(Br)C1
InChIInChI=1S/C10H12BrClS/c1-10(5-4-7(11)6-10)8-2-3-9(12)13-8/h2-3,7H,4-6H2,1H3
InChIKeyQWDZGFDPMOWGFV-UHFFFAOYSA-N
MW279.63 g/mol
LogP4.61
Rot. Bonds1

About 2-(3-bromo-1-methylcyclopentyl)-5-chlorothiophene

2-(3-bromo-1-methylcyclopentyl)-5-chlorothiophene (PubChem CID 116540633) has the molecular formula C10H12BrClS and a molecular weight of 279.63 g/mol. Its IUPAC name is 2-(3-bromo-1-methylcyclopentyl)-5-chlorothiophene.

Molecular Properties

Compound Name2-(3-bromo-1-methylcyclopentyl)-5-chlorothiophene
PubChem CID116540633
Molecular FormulaC10H12BrClS
Molecular Weight279.63 g/mol
Exact Mass277.95
IUPAC Name2-(3-bromo-1-methylcyclopentyl)-5-chlorothiophene
SMILESCC1(c2ccc(Cl)s2)CCC(Br)C1
InChIInChI=1S/C10H12BrClS/c1-10(5-4-7(11)6-10)8-2-3-9(12)13-8/h2-3,7H,4-6H2,1H3
InChIKeyQWDZGFDPMOWGFV-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.63
LogP ≤ 54.61
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

3-(5-chlorothiophen-2-yl)-N-ethyl-3-methylcyclopentan-1-amine
CID 116539484
1-(3-bromo-1-methylcyclopentyl)-2-chlorobenzene
CID 116540616
3-bromo-4-(3-bromo-1-methylcyclopentyl)thiophene
CID 116540743
3-methyl-3-(5-methylthiophen-2-yl)cyclopentan-1-amine
CID 116538770
2-(3-bromo-1-methylcyclopentyl)-1,4-dimethylbenzene
CID 116540790
1-(3-bromo-1-methylcyclopentyl)-2,4,5-trimethylbenzene
CID 116540535
1-(5-chlorothiophen-2-yl)-N-methylcyclopropan-1-amine
CID 83684485
1-(3-bromo-1-methylcyclopentyl)-4-cyclopropyloxybenzene
CID 114520246
5-(3-bromo-1-methylcyclopentyl)-1-methyltriazole
CID 114690669
5-(5-chlorothiophen-2-yl)-5-methyloxolane-2-carboxylic acid
CID 130585178
1-(5-chlorothiophen-2-yl)cyclopropane-1-carbonitrile
CID 53488040
2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-chlorothiophene
CID 107182254

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1-methylcyclopentyl)-5-chlorothiophene?
The IUPAC name of 2-(3-bromo-1-methylcyclopentyl)-5-chlorothiophene (CID 116540633) is 2-(3-bromo-1-methylcyclopentyl)-5-chlorothiophene.
What is the SMILES notation for 2-(3-bromo-1-methylcyclopentyl)-5-chlorothiophene?
The canonical SMILES for 2-(3-bromo-1-methylcyclopentyl)-5-chlorothiophene is CC1(c2ccc(Cl)s2)CCC(Br)C1.
What is the InChIKey of 2-(3-bromo-1-methylcyclopentyl)-5-chlorothiophene?
The InChIKey is QWDZGFDPMOWGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClS/c1-10(5-4-7(11)6-10)8-2-3-9(12)13-8/h2-3,7H,4-6H2,1H3.
What are the key properties of 2-(3-bromo-1-methylcyclopentyl)-5-chlorothiophene?
2-(3-bromo-1-methylcyclopentyl)-5-chlorothiophene has a molecular weight of 279.63 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1-methylcyclopentyl)-5-chlorothiophene is sourced from PubChem (CID 116540633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).