2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-chlorothiophene

C12H16BrClS — CID 107182254

IUPAC2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-chlorothiophene
SMILESCC1(C)CCCC1C(Br)c1ccc(Cl)s1
InChIInChI=1S/C12H16BrClS/c1-12(2)7-3-4-8(12)11(13)9-5-6-10(14)15-9/h5-6,8,11H,3-4,7H2,1-2H3
InChIKeyUARYXWUPJHMHSD-UHFFFAOYSA-N
MW307.68 g/mol
LogP5.66
Rot. Bonds2

About 2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-chlorothiophene

2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-chlorothiophene (PubChem CID 107182254) has the molecular formula C12H16BrClS and a molecular weight of 307.68 g/mol. Its IUPAC name is 2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-chlorothiophene.

Molecular Properties

Compound Name2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-chlorothiophene
PubChem CID107182254
Molecular FormulaC12H16BrClS
Molecular Weight307.68 g/mol
Exact Mass305.98
IUPAC Name2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-chlorothiophene
SMILESCC1(C)CCCC1C(Br)c1ccc(Cl)s1
InChIInChI=1S/C12H16BrClS/c1-12(2)7-3-4-8(12)11(13)9-5-6-10(14)15-9/h5-6,8,11H,3-4,7H2,1-2H3
InChIKeyUARYXWUPJHMHSD-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.68
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-chlorothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177267
3-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dichlorothiophene
CID 107182289
2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188272
2-[bromo-(5-chlorothiophen-2-yl)methyl]oxolane
CID 61096141
3-bromo-2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-methylthiophene
CID 107182444
(5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanol
CID 107181811
1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4-chloronaphthalene
CID 107182469
1-[bromo-(2,2-dimethylcyclohexyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 107182571
1-[bromo-(2,2-dimethylcyclopentyl)methyl]naphthalene
CID 107182431
2-(1-bromoethyl)-5-chlorothiophene
CID 61096745
6-[bromo-(2,2-dimethylcyclopentyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 107182199
(5-chlorothiophen-2-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176311

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-chlorothiophene?
The IUPAC name of 2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-chlorothiophene (CID 107182254) is 2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-chlorothiophene.
What is the SMILES notation for 2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-chlorothiophene?
The canonical SMILES for 2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-chlorothiophene is CC1(C)CCCC1C(Br)c1ccc(Cl)s1.
What is the InChIKey of 2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-chlorothiophene?
The InChIKey is UARYXWUPJHMHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClS/c1-12(2)7-3-4-8(12)11(13)9-5-6-10(14)15-9/h5-6,8,11H,3-4,7H2,1-2H3.
What are the key properties of 2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-chlorothiophene?
2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-chlorothiophene has a molecular weight of 307.68 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-chlorothiophene is sourced from PubChem (CID 107182254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).