2-bromo-5-[chloro-(2-methylcyclopentyl)methyl]thiophene

C11H14BrClS — CID 107182115

IUPAC2-bromo-5-[chloro-(2-methylcyclopentyl)methyl]thiophene
SMILESCC1CCCC1C(Cl)c1ccc(Br)s1
InChIInChI=1S/C11H14BrClS/c1-7-3-2-4-8(7)11(13)9-5-6-10(12)14-9/h5-8,11H,2-4H2,1H3
InChIKeyJMZMJDRKRMSFGA-UHFFFAOYSA-N
MW293.66 g/mol
LogP5.23
Rot. Bonds2

About 2-bromo-5-[chloro-(2-methylcyclopentyl)methyl]thiophene

2-bromo-5-[chloro-(2-methylcyclopentyl)methyl]thiophene (PubChem CID 107182115) has the molecular formula C11H14BrClS and a molecular weight of 293.66 g/mol. Its IUPAC name is 2-bromo-5-[chloro-(2-methylcyclopentyl)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[chloro-(2-methylcyclopentyl)methyl]thiophene
PubChem CID107182115
Molecular FormulaC11H14BrClS
Molecular Weight293.66 g/mol
Exact Mass291.97
IUPAC Name2-bromo-5-[chloro-(2-methylcyclopentyl)methyl]thiophene
SMILESCC1CCCC1C(Cl)c1ccc(Br)s1
InChIInChI=1S/C11H14BrClS/c1-7-3-2-4-8(7)11(13)9-5-6-10(12)14-9/h5-8,11H,2-4H2,1H3
InChIKeyJMZMJDRKRMSFGA-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.66
LogP ≤ 55.23
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-5-[chloro-(2-methylcyclopentyl)methyl]thiophene
CID 107182037
2-bromo-5-[chloro(cyclopropyl)methyl]thiophene
CID 61085489
2-[chloro-(2-methylcyclopentyl)methyl]thiophene
CID 107181986
2-bromo-5-[(4-tert-butylcyclohexyl)-chloromethyl]thiophene
CID 63435194
3-[(5-bromothiophen-2-yl)-chloromethyl]oxolane
CID 61279950
6-bromo-7-[chloro-(2-methylcyclopentyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 107182053
(1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine
CID 81386958
(S)-(5-bromothiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171222527
1-bromo-2-chloro-4-[chloro-(2-methylcyclopentyl)methyl]-5-fluorobenzene
CID 107182658
1-benzyl-4-[chloro-(2-methylcyclopentyl)methyl]benzene
CID 107182438
N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-2-yl)methanamine
CID 107177150
1-[chloro-(2-methylcyclopentyl)methyl]naphthalene
CID 107182429

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[chloro-(2-methylcyclopentyl)methyl]thiophene?
The IUPAC name of 2-bromo-5-[chloro-(2-methylcyclopentyl)methyl]thiophene (CID 107182115) is 2-bromo-5-[chloro-(2-methylcyclopentyl)methyl]thiophene.
What is the SMILES notation for 2-bromo-5-[chloro-(2-methylcyclopentyl)methyl]thiophene?
The canonical SMILES for 2-bromo-5-[chloro-(2-methylcyclopentyl)methyl]thiophene is CC1CCCC1C(Cl)c1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-[chloro-(2-methylcyclopentyl)methyl]thiophene?
The InChIKey is JMZMJDRKRMSFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClS/c1-7-3-2-4-8(7)11(13)9-5-6-10(12)14-9/h5-8,11H,2-4H2,1H3.
What are the key properties of 2-bromo-5-[chloro-(2-methylcyclopentyl)methyl]thiophene?
2-bromo-5-[chloro-(2-methylcyclopentyl)methyl]thiophene has a molecular weight of 293.66 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[chloro-(2-methylcyclopentyl)methyl]thiophene is sourced from PubChem (CID 107182115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).