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

C12H9Br2FOS — CID 66423442

IUPAC1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanol
SMILESOC(Cc1ccc(Br)s1)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H9Br2FOS/c13-8-3-7(4-9(15)5-8)11(16)6-10-1-2-12(14)17-10/h1-5,11,16H,6H2
InChIKeyLEFZRVYIWWHSJE-UHFFFAOYSA-N
MW380.08 g/mol
LogP4.69
Rot. Bonds3

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

1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanol (PubChem CID 66423442) has the molecular formula C12H9Br2FOS and a molecular weight of 380.08 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanol
PubChem CID66423442
Molecular FormulaC12H9Br2FOS
Molecular Weight380.08 g/mol
Exact Mass377.87
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanol
SMILESOC(Cc1ccc(Br)s1)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H9Br2FOS/c13-8-3-7(4-9(15)5-8)11(16)6-10-1-2-12(14)17-10/h1-5,11,16H,6H2
InChIKeyLEFZRVYIWWHSJE-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

1-(3-bromophenyl)-2-(5-bromothiophen-2-yl)ethanol
CID 62606111
2-(5-bromothiophen-2-yl)-1-[4-(difluoromethyl)phenyl]ethanol
CID 115524905
N-[1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 66425252
1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol
CID 63017169
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373495
2-(2-amino-3-pyridinyl)-1-(3-bromo-5-fluorophenyl)ethanol
CID 66425032
2-(5-bromothiophen-2-yl)-1-(3-methylphenyl)ethanol
CID 62606126
2-(5-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol
CID 63083123
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol
CID 104736133
[2-(5-bromothiophen-2-yl)-1-(3-fluorophenyl)ethyl]hydrazine
CID 105192898
2-(5-chlorothiophen-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
CID 115351112

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanol?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanol (CID 66423442) is 1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanol?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanol is OC(Cc1ccc(Br)s1)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanol?
The InChIKey is LEFZRVYIWWHSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FOS/c13-8-3-7(4-9(15)5-8)11(16)6-10-1-2-12(14)17-10/h1-5,11,16H,6H2.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanol?
1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-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 1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanol is sourced from PubChem (CID 66423442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).