1-(2-bromo-5-fluorophenyl)-3-thiophen-2-ylpropan-2-one

C13H10BrFOS — CID 62620100

IUPAC1-(2-bromo-5-fluorophenyl)-3-thiophen-2-ylpropan-2-one
SMILESO=C(Cc1cccs1)Cc1cc(F)ccc1Br
InChIInChI=1S/C13H10BrFOS/c14-13-4-3-10(15)6-9(13)7-11(16)8-12-2-1-5-17-12/h1-6H,7-8H2
InChIKeyYMGCUSZTQVXNGZ-UHFFFAOYSA-N
MW313.19 g/mol
LogP4.00
Rot. Bonds4

About 1-(2-bromo-5-fluorophenyl)-3-thiophen-2-ylpropan-2-one

1-(2-bromo-5-fluorophenyl)-3-thiophen-2-ylpropan-2-one (PubChem CID 62620100) has the molecular formula C13H10BrFOS and a molecular weight of 313.19 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-thiophen-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-thiophen-2-ylpropan-2-one
PubChem CID62620100
Molecular FormulaC13H10BrFOS
Molecular Weight313.19 g/mol
Exact Mass311.96
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-thiophen-2-ylpropan-2-one
SMILESO=C(Cc1cccs1)Cc1cc(F)ccc1Br
InChIInChI=1S/C13H10BrFOS/c14-13-4-3-10(15)6-9(13)7-11(16)8-12-2-1-5-17-12/h1-6H,7-8H2
InChIKeyYMGCUSZTQVXNGZ-UHFFFAOYSA-N
XLogP4.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-bromo-4-fluorophenyl)-2-thiophen-2-ylethanone
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1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
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1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
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1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-one
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1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one
CID 118843600
1-(2-bromo-5-fluorophenyl)-3-(3-methylphenyl)propan-2-one
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1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one
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1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one
CID 55078933
1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-thiophen-2-ylpropan-2-one?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-thiophen-2-ylpropan-2-one (CID 62620100) is 1-(2-bromo-5-fluorophenyl)-3-thiophen-2-ylpropan-2-one.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-thiophen-2-ylpropan-2-one?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-thiophen-2-ylpropan-2-one is O=C(Cc1cccs1)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-thiophen-2-ylpropan-2-one?
The InChIKey is YMGCUSZTQVXNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFOS/c14-13-4-3-10(15)6-9(13)7-11(16)8-12-2-1-5-17-12/h1-6H,7-8H2.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-thiophen-2-ylpropan-2-one?
1-(2-bromo-5-fluorophenyl)-3-thiophen-2-ylpropan-2-one has a molecular weight of 313.19 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-thiophen-2-ylpropan-2-one is sourced from PubChem (CID 62620100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).