1-(3-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-one

C8H8BrFOS — CID 130561954

IUPAC1-(3-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)c1sccc1Br
InChIInChI=1S/C8H8BrFOS/c1-8(2,10)7(11)6-5(9)3-4-12-6/h3-4H,1-2H3
InChIKeyVKURWMNXGQTTMF-UHFFFAOYSA-N
MW251.12 g/mol
LogP3.44
Rot. Bonds2

About 1-(3-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-one

1-(3-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-one (PubChem CID 130561954) has the molecular formula C8H8BrFOS and a molecular weight of 251.12 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-one
PubChem CID130561954
Molecular FormulaC8H8BrFOS
Molecular Weight251.12 g/mol
Exact Mass249.95
IUPAC Name1-(3-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)c1sccc1Br
InChIInChI=1S/C8H8BrFOS/c1-8(2,10)7(11)6-5(9)3-4-12-6/h3-4H,1-2H3
InChIKeyVKURWMNXGQTTMF-UHFFFAOYSA-N
XLogP3.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-one?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-one (CID 130561954) is 1-(3-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-one?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-one is CC(C)(F)C(=O)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-one?
The InChIKey is VKURWMNXGQTTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFOS/c1-8(2,10)7(11)6-5(9)3-4-12-6/h3-4H,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-one?
1-(3-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-one has a molecular weight of 251.12 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-fluoro-2-methylpropan-1-one is sourced from PubChem (CID 130561954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).