3-bromo-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene

C9H11Br2ClS — CID 102837073

IUPAC3-bromo-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene
SMILESCC(C)(C)C(Br)c1cc(Br)c(Cl)s1
InChIInChI=1S/C9H11Br2ClS/c1-9(2,3)7(11)6-4-5(10)8(12)13-6/h4,7H,1-3H3
InChIKeyDKFQWDIYTMZJFT-UHFFFAOYSA-N
MW346.52 g/mol
LogP5.65
Rot. Bonds1

About 3-bromo-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene

3-bromo-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene (PubChem CID 102837073) has the molecular formula C9H11Br2ClS and a molecular weight of 346.52 g/mol. Its IUPAC name is 3-bromo-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene.

Molecular Properties

Compound Name3-bromo-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene
PubChem CID102837073
Molecular FormulaC9H11Br2ClS
Molecular Weight346.52 g/mol
Exact Mass343.86
IUPAC Name3-bromo-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene
SMILESCC(C)(C)C(Br)c1cc(Br)c(Cl)s1
InChIInChI=1S/C9H11Br2ClS/c1-9(2,3)7(11)6-4-5(10)8(12)13-6/h4,7H,1-3H3
InChIKeyDKFQWDIYTMZJFT-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 55.65
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-bromo-2-chloro-5-(1-chloro-2,2-difluoropropyl)thiophene
CID 130605196
3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene
CID 103514684
2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene
CID 102836981
1-(4-bromo-5-chlorothiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 102828241
1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine
CID 102828282
1-(4-bromo-5-chlorothiophen-2-yl)-N,2,2-trimethylbutan-1-amine
CID 102828223
3-bromo-2-chloro-5-(1-chlorobutyl)thiophene
CID 102836404
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol
CID 102830173
3-bromo-5-[bromo-(2-bromo-4-methylphenyl)methyl]-2-chlorothiophene
CID 102836721
3-bromo-2-chloro-5-[chloro-(4-methylcyclohexyl)methyl]thiophene
CID 102836229
3-bromo-5-[1-bromo-2-(1-methylcyclopropyl)ethyl]-2-chlorothiophene
CID 131002567
3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene
CID 102836792

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene?
The IUPAC name of 3-bromo-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene (CID 102837073) is 3-bromo-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene.
What is the SMILES notation for 3-bromo-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene?
The canonical SMILES for 3-bromo-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene is CC(C)(C)C(Br)c1cc(Br)c(Cl)s1.
What is the InChIKey of 3-bromo-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene?
The InChIKey is DKFQWDIYTMZJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2ClS/c1-9(2,3)7(11)6-4-5(10)8(12)13-6/h4,7H,1-3H3.
What are the key properties of 3-bromo-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene?
3-bromo-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene has a molecular weight of 346.52 g/mol, XLogP of 5.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene is sourced from PubChem (CID 102837073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).