1-(2-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol

C12H9Br2FOS — CID 115790217

IUPAC1-(2-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol
SMILESOC(Cc1cc(Br)cs1)c1cccc(F)c1Br
InChIInChI=1S/C12H9Br2FOS/c13-7-4-8(17-6-7)5-11(16)9-2-1-3-10(15)12(9)14/h1-4,6,11,16H,5H2
InChIKeyLDXXRWKGHPQTBA-UHFFFAOYSA-N
MW380.08 g/mol
LogP4.69
Rot. Bonds3

About 1-(2-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol

1-(2-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol (PubChem CID 115790217) has the molecular formula C12H9Br2FOS and a molecular weight of 380.08 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol
PubChem CID115790217
Molecular FormulaC12H9Br2FOS
Molecular Weight380.08 g/mol
Exact Mass377.87
IUPAC Name1-(2-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol
SMILESOC(Cc1cc(Br)cs1)c1cccc(F)c1Br
InChIInChI=1S/C12H9Br2FOS/c13-7-4-8(17-6-7)5-11(16)9-2-1-3-10(15)12(9)14/h1-4,6,11,16H,5H2
InChIKeyLDXXRWKGHPQTBA-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-(4-bromothiophen-2-yl)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712259
2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115790170
2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol
CID 115790186
4-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
CID 79454073
1-(3-bromo-4-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol
CID 65148395
2-(4-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 62608007
1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
CID 115800366
1-(2-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803383
1-(2-bromo-3-fluorophenyl)butan-1-ol
CID 58572720
1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 114886786
2-(4-bromothiophen-2-yl)-1-pyrimidin-2-ylethanol
CID 62608024
1-(2-bromo-3-fluorophenyl)pent-4-yn-1-ol
CID 115799381

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol (CID 115790217) is 1-(2-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol is OC(Cc1cc(Br)cs1)c1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol?
The InChIKey is LDXXRWKGHPQTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FOS/c13-7-4-8(17-6-7)5-11(16)9-2-1-3-10(15)12(9)14/h1-4,6,11,16H,5H2.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol?
1-(2-bromo-3-fluorophenyl)-2-(4-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-(2-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol is sourced from PubChem (CID 115790217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).