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

C12H9BrClFOS — CID 102867461

IUPAC1-(5-bromothiophen-3-yl)-2-(3-chloro-2-fluorophenyl)ethanol
SMILESOC(Cc1cccc(Cl)c1F)c1csc(Br)c1
InChIInChI=1S/C12H9BrClFOS/c13-11-5-8(6-17-11)10(16)4-7-2-1-3-9(14)12(7)15/h1-3,5-6,10,16H,4H2
InChIKeyNJNJMKPCBDSBEK-UHFFFAOYSA-N
MW335.63 g/mol
LogP4.58
Rot. Bonds3

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

1-(5-bromothiophen-3-yl)-2-(3-chloro-2-fluorophenyl)ethanol (PubChem CID 102867461) has the molecular formula C12H9BrClFOS and a molecular weight of 335.63 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-2-(3-chloro-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-2-(3-chloro-2-fluorophenyl)ethanol
PubChem CID102867461
Molecular FormulaC12H9BrClFOS
Molecular Weight335.63 g/mol
Exact Mass333.92
IUPAC Name1-(5-bromothiophen-3-yl)-2-(3-chloro-2-fluorophenyl)ethanol
SMILESOC(Cc1cccc(Cl)c1F)c1csc(Br)c1
InChIInChI=1S/C12H9BrClFOS/c13-11-5-8(6-17-11)10(16)4-7-2-1-3-9(14)12(7)15/h1-3,5-6,10,16H,4H2
InChIKeyNJNJMKPCBDSBEK-UHFFFAOYSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102856976
1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102857075
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
CID 102867508
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105086522
1-(3-bromo-2-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 106645174
2-(3-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanol
CID 106848185
1-(2-bromo-5-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102867515
1-(2-bromo-6-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102857500
2-(3-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 82802615
2-(3-chloro-2-fluorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 102856962
2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol
CID 82789499
2-(3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)ethanol
CID 82802842

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-2-(3-chloro-2-fluorophenyl)ethanol?
The IUPAC name of 1-(5-bromothiophen-3-yl)-2-(3-chloro-2-fluorophenyl)ethanol (CID 102867461) is 1-(5-bromothiophen-3-yl)-2-(3-chloro-2-fluorophenyl)ethanol.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-2-(3-chloro-2-fluorophenyl)ethanol?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-2-(3-chloro-2-fluorophenyl)ethanol is OC(Cc1cccc(Cl)c1F)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-2-(3-chloro-2-fluorophenyl)ethanol?
The InChIKey is NJNJMKPCBDSBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFOS/c13-11-5-8(6-17-11)10(16)4-7-2-1-3-9(14)12(7)15/h1-3,5-6,10,16H,4H2.
What are the key properties of 1-(5-bromothiophen-3-yl)-2-(3-chloro-2-fluorophenyl)ethanol?
1-(5-bromothiophen-3-yl)-2-(3-chloro-2-fluorophenyl)ethanol has a molecular weight of 335.63 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-2-(3-chloro-2-fluorophenyl)ethanol is sourced from PubChem (CID 102867461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).