1-(3-bromo-4-fluorophenyl)-2-thiophen-3-ylethanol

C12H10BrFOS — CID 65148445

IUPAC1-(3-bromo-4-fluorophenyl)-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H10BrFOS/c13-10-6-9(1-2-11(10)14)12(15)5-8-3-4-16-7-8/h1-4,6-7,12,15H,5H2
InChIKeyOVFKQMLJRMYMDP-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.93
Rot. Bonds3

About 1-(3-bromo-4-fluorophenyl)-2-thiophen-3-ylethanol

1-(3-bromo-4-fluorophenyl)-2-thiophen-3-ylethanol (PubChem CID 65148445) has the molecular formula C12H10BrFOS and a molecular weight of 301.18 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-2-thiophen-3-ylethanol
PubChem CID65148445
Molecular FormulaC12H10BrFOS
Molecular Weight301.18 g/mol
Exact Mass299.96
IUPAC Name1-(3-bromo-4-fluorophenyl)-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H10BrFOS/c13-10-6-9(1-2-11(10)14)12(15)5-8-3-4-16-7-8/h1-4,6-7,12,15H,5H2
InChIKeyOVFKQMLJRMYMDP-UHFFFAOYSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-bromo-2-(3-bromo-4-fluorophenyl)ethyl]thiophene
CID 107958002
1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol
CID 63094329
1-(3-bromo-4-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 82808675
1-(3-bromo-4-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol
CID 65148395
1-(4-bromo-3-methylphenyl)-2-thiophen-3-ylethanol
CID 81446687
1-(3-fluorophenyl)-2-thiophen-3-ylethanol
CID 62607958
1-(3-bromo-4-fluorophenyl)ethane-1,2-diol
CID 70906663
1-(3-bromo-4-fluorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 54952781
1-(3,4-difluorophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)ethanol
CID 61221529
1-(3-bromo-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanol
CID 65148052
1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
CID 115779651
1-(3-bromo-4-fluorophenyl)-2-(4-nitrophenyl)ethanol
CID 107957861

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-thiophen-3-ylethanol (CID 65148445) is 1-(3-bromo-4-fluorophenyl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-2-thiophen-3-ylethanol is OC(Cc1ccsc1)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-2-thiophen-3-ylethanol?
The InChIKey is OVFKQMLJRMYMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFOS/c13-10-6-9(1-2-11(10)14)12(15)5-8-3-4-16-7-8/h1-4,6-7,12,15H,5H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-2-thiophen-3-ylethanol?
1-(3-bromo-4-fluorophenyl)-2-thiophen-3-ylethanol has a molecular weight of 301.18 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 65148445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).