2-(5-chloro-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol

C12H9Cl2FOS — CID 103047593

IUPAC2-(5-chloro-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol
SMILESOC(Cc1cc(Cl)ccc1F)c1ccc(Cl)s1
InChIInChI=1S/C12H9Cl2FOS/c13-8-1-2-9(15)7(5-8)6-10(16)11-3-4-12(14)17-11/h1-5,10,16H,6H2
InChIKeyYQUFDAVRVMCHOY-UHFFFAOYSA-N
MW291.17 g/mol
LogP4.47
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol

2-(5-chloro-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol (PubChem CID 103047593) has the molecular formula C12H9Cl2FOS and a molecular weight of 291.17 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol
PubChem CID103047593
Molecular FormulaC12H9Cl2FOS
Molecular Weight291.17 g/mol
Exact Mass289.97
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol
SMILESOC(Cc1cc(Cl)ccc1F)c1ccc(Cl)s1
InChIInChI=1S/C12H9Cl2FOS/c13-8-1-2-9(15)7(5-8)6-10(16)11-3-4-12(14)17-11/h1-5,10,16H,6H2
InChIKeyYQUFDAVRVMCHOY-UHFFFAOYSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol (CID 103047593) is 2-(5-chloro-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol is OC(Cc1cc(Cl)ccc1F)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol?
The InChIKey is YQUFDAVRVMCHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FOS/c13-8-1-2-9(15)7(5-8)6-10(16)11-3-4-12(14)17-11/h1-5,10,16H,6H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol?
2-(5-chloro-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol has a molecular weight of 291.17 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol is sourced from PubChem (CID 103047593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).