1-(2,5-dibromothiophen-3-yl)-2,2-dimethylpropan-1-one

C9H10Br2OS — CID 43167377

IUPAC1-(2,5-dibromothiophen-3-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C9H10Br2OS/c1-9(2,3)7(12)5-4-6(10)13-8(5)11/h4H,1-3H3
InChIKeyOWYIFFFELBLBNE-UHFFFAOYSA-N
MW326.05 g/mol
LogP4.50
Rot. Bonds1

About 1-(2,5-dibromothiophen-3-yl)-2,2-dimethylpropan-1-one

1-(2,5-dibromothiophen-3-yl)-2,2-dimethylpropan-1-one (PubChem CID 43167377) has the molecular formula C9H10Br2OS and a molecular weight of 326.05 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2,2-dimethylpropan-1-one
PubChem CID43167377
Molecular FormulaC9H10Br2OS
Molecular Weight326.05 g/mol
Exact Mass323.88
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C9H10Br2OS/c1-9(2,3)7(12)5-4-6(10)13-8(5)11/h4H,1-3H3
InChIKeyOWYIFFFELBLBNE-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.05
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dibromothiophen-2-yl)-2,2-dimethylpropan-1-one
CID 140918472
(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107960074
3-[(2,5-dibromothiophene-3-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 113263257
2,5-dibromo-N,N-diethylthiophene-3-carboxamide
CID 103672324
(2,5-dibromothiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107967866
1-(2,5-dibromothiophen-3-yl)-2-methylsulfonylethanone
CID 62784747
2-bromo-1-(2,5-dibromothiophen-3-yl)butan-1-one
CID 63386483
2,5-dibromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)thiophene-3-carboxamide
CID 114177005
(4-bromo-2,5-dimethylphenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107960045
(2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone
CID 107960219
1-(2,5-dibromothiophen-3-yl)-2-(N-methylanilino)ethanone
CID 43227438
N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide
CID 103807196

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2,2-dimethylpropan-1-one (CID 43167377) is 1-(2,5-dibromothiophen-3-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2,2-dimethylpropan-1-one?
The InChIKey is OWYIFFFELBLBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2OS/c1-9(2,3)7(12)5-4-6(10)13-8(5)11/h4H,1-3H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2,2-dimethylpropan-1-one?
1-(2,5-dibromothiophen-3-yl)-2,2-dimethylpropan-1-one has a molecular weight of 326.05 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 43167377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).