5-(3-bromothiophen-2-yl)-4,4-dimethylpentan-2-one

C11H15BrOS — CID 64717184

IUPAC5-(3-bromothiophen-2-yl)-4,4-dimethylpentan-2-one
SMILESCC(=O)CC(C)(C)Cc1sccc1Br
InChIInChI=1S/C11H15BrOS/c1-8(13)6-11(2,3)7-10-9(12)4-5-14-10/h4-5H,6-7H2,1-3H3
InChIKeyZAAVIQWLCYJIGE-UHFFFAOYSA-N
MW275.21 g/mol
LogP4.06
Rot. Bonds4

About 5-(3-bromothiophen-2-yl)-4,4-dimethylpentan-2-one

5-(3-bromothiophen-2-yl)-4,4-dimethylpentan-2-one (PubChem CID 64717184) has the molecular formula C11H15BrOS and a molecular weight of 275.21 g/mol. Its IUPAC name is 5-(3-bromothiophen-2-yl)-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name5-(3-bromothiophen-2-yl)-4,4-dimethylpentan-2-one
PubChem CID64717184
Molecular FormulaC11H15BrOS
Molecular Weight275.21 g/mol
Exact Mass274.00
IUPAC Name5-(3-bromothiophen-2-yl)-4,4-dimethylpentan-2-one
SMILESCC(=O)CC(C)(C)Cc1sccc1Br
InChIInChI=1S/C11H15BrOS/c1-8(13)6-11(2,3)7-10-9(12)4-5-14-10/h4-5H,6-7H2,1-3H3
InChIKeyZAAVIQWLCYJIGE-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(3-bromothiophen-2-yl)-4,4-dimethylpentan-2-one 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

diethyl 2-[(3-bromothiophen-2-yl)methyl]-2-methylpropanedioate
CID 103972608
2-[(3-bromothiophen-2-yl)methyl]-2-methylpropane-1,3-diol
CID 79450444
1-(3-bromothiophen-2-yl)-3,3-dimethylbutan-2-one
CID 62620042
4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 81022935
3-(3-bromothiophen-2-yl)-2,2-difluoropropanoic acid
CID 165463784
1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol
CID 65147917
3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 62725350
4-(3-bromothiophen-2-yl)-2,2-dimethylbutanoic acid
CID 80535683
3-amino-1-(3-bromothiophen-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 116593076
methyl 2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropanoate
CID 78952228
1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol
CID 66039628
2-[(3-bromothiophen-2-yl)methyl]-2-ethoxycarbonyl-4-methylpentanoic acid
CID 103974028

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromothiophen-2-yl)-4,4-dimethylpentan-2-one?
The IUPAC name of 5-(3-bromothiophen-2-yl)-4,4-dimethylpentan-2-one (CID 64717184) is 5-(3-bromothiophen-2-yl)-4,4-dimethylpentan-2-one.
What is the SMILES notation for 5-(3-bromothiophen-2-yl)-4,4-dimethylpentan-2-one?
The canonical SMILES for 5-(3-bromothiophen-2-yl)-4,4-dimethylpentan-2-one is CC(=O)CC(C)(C)Cc1sccc1Br.
What is the InChIKey of 5-(3-bromothiophen-2-yl)-4,4-dimethylpentan-2-one?
The InChIKey is ZAAVIQWLCYJIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrOS/c1-8(13)6-11(2,3)7-10-9(12)4-5-14-10/h4-5H,6-7H2,1-3H3.
What are the key properties of 5-(3-bromothiophen-2-yl)-4,4-dimethylpentan-2-one?
5-(3-bromothiophen-2-yl)-4,4-dimethylpentan-2-one has a molecular weight of 275.21 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromothiophen-2-yl)-4,4-dimethylpentan-2-one is sourced from PubChem (CID 64717184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).