2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol

C12H9Br2FOS — CID 105086522

IUPAC2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol
SMILESOC(Cc1cc(Br)ccc1F)c1csc(Br)c1
InChIInChI=1S/C12H9Br2FOS/c13-9-1-2-10(15)7(3-9)4-11(16)8-5-12(14)17-6-8/h1-3,5-6,11,16H,4H2
InChIKeyVBDOHWQIXVWUNJ-UHFFFAOYSA-N
MW380.08 g/mol
LogP4.69
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol

2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol (PubChem CID 105086522) has the molecular formula C12H9Br2FOS and a molecular weight of 380.08 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol
PubChem CID105086522
Molecular FormulaC12H9Br2FOS
Molecular Weight380.08 g/mol
Exact Mass377.87
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol
SMILESOC(Cc1cc(Br)ccc1F)c1csc(Br)c1
InChIInChI=1S/C12H9Br2FOS/c13-9-1-2-10(15)7(3-9)4-11(16)8-5-12(14)17-6-8/h1-3,5-6,11,16H,4H2
InChIKeyVBDOHWQIXVWUNJ-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.08
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105081985
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2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
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CID 79980726
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CID 102867461
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CID 81144033
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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol (CID 105086522) is 2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol is OC(Cc1cc(Br)ccc1F)c1csc(Br)c1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol?
The InChIKey is VBDOHWQIXVWUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FOS/c13-9-1-2-10(15)7(3-9)4-11(16)8-5-12(14)17-6-8/h1-3,5-6,11,16H,4H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol?
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol has a molecular weight of 380.08 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol is sourced from PubChem (CID 105086522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).