1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethanol

C12H10BrFOS — CID 61080789

IUPAC1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1)c1ccc(Br)s1
InChIInChI=1S/C12H10BrFOS/c13-12-6-5-11(16-12)10(15)7-8-1-3-9(14)4-2-8/h1-6,10,15H,7H2
InChIKeyXYRZGJYMACJUEC-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.93
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethanol

1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethanol (PubChem CID 61080789) has the molecular formula C12H10BrFOS and a molecular weight of 301.18 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethanol
PubChem CID61080789
Molecular FormulaC12H10BrFOS
Molecular Weight301.18 g/mol
Exact Mass299.96
IUPAC Name1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1)c1ccc(Br)s1
InChIInChI=1S/C12H10BrFOS/c13-12-6-5-11(16-12)10(15)7-8-1-3-9(14)4-2-8/h1-6,10,15H,7H2
InChIKeyXYRZGJYMACJUEC-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

1-(5-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 62116122
[1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105222035
1-(5-bromothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346774
1-(5-bromothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 61063795
2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol
CID 63893838
2-bromo-5-[bromo-(4-fluorophenyl)methyl]thiophene
CID 63439478
(2-bromo-5-fluorophenyl)-(5-bromothiophen-2-yl)methanol
CID 61081150
1-(4-chlorothiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 79427974
1-fluoro-2-(4-fluorophenyl)ethanol
CID 67526233
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 55150651
3-(4-fluorophenyl)-2-methylpropane-1-thiol
CID 83930913
1-(5-bromothiophen-2-yl)-2-(1-methylcyclobutyl)ethanol
CID 130601456

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethanol (CID 61080789) is 1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethanol is OC(Cc1ccc(F)cc1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethanol?
The InChIKey is XYRZGJYMACJUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFOS/c13-12-6-5-11(16-12)10(15)7-8-1-3-9(14)4-2-8/h1-6,10,15H,7H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethanol?
1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethanol 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-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 61080789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).