2,5-dibromo-3-(1-chloro-2,2-dimethylbutyl)thiophene

C10H13Br2ClS — CID 63436226

IUPAC2,5-dibromo-3-(1-chloro-2,2-dimethylbutyl)thiophene
SMILESCCC(C)(C)C(Cl)c1cc(Br)sc1Br
InChIInChI=1S/C10H13Br2ClS/c1-4-10(2,3)8(13)6-5-7(11)14-9(6)12/h5,8H,4H2,1-3H3
InChIKeyCXFDQXOHJODWII-UHFFFAOYSA-N
MW360.54 g/mol
LogP5.99
Rot. Bonds3

About 2,5-dibromo-3-(1-chloro-2,2-dimethylbutyl)thiophene

2,5-dibromo-3-(1-chloro-2,2-dimethylbutyl)thiophene (PubChem CID 63436226) has the molecular formula C10H13Br2ClS and a molecular weight of 360.54 g/mol. Its IUPAC name is 2,5-dibromo-3-(1-chloro-2,2-dimethylbutyl)thiophene.

Molecular Properties

Compound Name2,5-dibromo-3-(1-chloro-2,2-dimethylbutyl)thiophene
PubChem CID63436226
Molecular FormulaC10H13Br2ClS
Molecular Weight360.54 g/mol
Exact Mass357.88
IUPAC Name2,5-dibromo-3-(1-chloro-2,2-dimethylbutyl)thiophene
SMILESCCC(C)(C)C(Cl)c1cc(Br)sc1Br
InChIInChI=1S/C10H13Br2ClS/c1-4-10(2,3)8(13)6-5-7(11)14-9(6)12/h5,8H,4H2,1-3H3
InChIKeyCXFDQXOHJODWII-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 55.99
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

2,5-dibromo-3-(1-chloro-2,2,3,3,3-pentafluoropropyl)thiophene
CID 63436219
2,5-dibromo-3-(1-chloro-3-methylpentyl)thiophene
CID 114876055
2,5-dibromo-3-[chloro-(2-ethoxyphenyl)methyl]thiophene
CID 55198913
2,5-dibromo-3-(1-chlorododecyl)thiophene
CID 65427146
2,5-dibromo-3-[bromo-(4-ethoxyphenyl)methyl]thiophene
CID 63442944
2,5-dibromo-3-[chloro-(3-propoxyphenyl)methyl]thiophene
CID 63436307
1-(2,5-dibromothiophen-3-yl)-N,3,3-trimethylbutan-1-amine
CID 43486942
(2,5-dibromothiophen-3-yl)-(2-ethoxyphenyl)methanamine
CID 43345009
2,5-dibromo-3-[bromo-(5-bromo-2-ethoxyphenyl)methyl]thiophene
CID 107964720
1-(2,5-dibromothiophen-3-yl)-2-methyl-2-phenylpropan-1-ol
CID 55198667
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 107961111
3-bromo-2-(1-chloro-2,2-dimethylbutyl)thiophene
CID 80535903

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-(1-chloro-2,2-dimethylbutyl)thiophene?
The IUPAC name of 2,5-dibromo-3-(1-chloro-2,2-dimethylbutyl)thiophene (CID 63436226) is 2,5-dibromo-3-(1-chloro-2,2-dimethylbutyl)thiophene.
What is the SMILES notation for 2,5-dibromo-3-(1-chloro-2,2-dimethylbutyl)thiophene?
The canonical SMILES for 2,5-dibromo-3-(1-chloro-2,2-dimethylbutyl)thiophene is CCC(C)(C)C(Cl)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-3-(1-chloro-2,2-dimethylbutyl)thiophene?
The InChIKey is CXFDQXOHJODWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2ClS/c1-4-10(2,3)8(13)6-5-7(11)14-9(6)12/h5,8H,4H2,1-3H3.
What are the key properties of 2,5-dibromo-3-(1-chloro-2,2-dimethylbutyl)thiophene?
2,5-dibromo-3-(1-chloro-2,2-dimethylbutyl)thiophene has a molecular weight of 360.54 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-(1-chloro-2,2-dimethylbutyl)thiophene is sourced from PubChem (CID 63436226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).