2-(5-chloro-2-fluorophenyl)-1-thiophen-3-ylethanol

C12H10ClFOS — CID 103047544

IUPAC2-(5-chloro-2-fluorophenyl)-1-thiophen-3-ylethanol
SMILESOC(Cc1cc(Cl)ccc1F)c1ccsc1
InChIInChI=1S/C12H10ClFOS/c13-10-1-2-11(14)9(5-10)6-12(15)8-3-4-16-7-8/h1-5,7,12,15H,6H2
InChIKeyOHWKKCQLLSLJNH-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.82
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-1-thiophen-3-ylethanol

2-(5-chloro-2-fluorophenyl)-1-thiophen-3-ylethanol (PubChem CID 103047544) has the molecular formula C12H10ClFOS and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-thiophen-3-ylethanol
PubChem CID103047544
Molecular FormulaC12H10ClFOS
Molecular Weight256.73 g/mol
Exact Mass256.01
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-thiophen-3-ylethanol
SMILESOC(Cc1cc(Cl)ccc1F)c1ccsc1
InChIInChI=1S/C12H10ClFOS/c13-10-1-2-11(14)9(5-10)6-12(15)8-3-4-16-7-8/h1-5,7,12,15H,6H2
InChIKeyOHWKKCQLLSLJNH-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.82
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-thiophen-3-ylethanol?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-thiophen-3-ylethanol (CID 103047544) is 2-(5-chloro-2-fluorophenyl)-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-thiophen-3-ylethanol?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-thiophen-3-ylethanol is OC(Cc1cc(Cl)ccc1F)c1ccsc1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-thiophen-3-ylethanol?
The InChIKey is OHWKKCQLLSLJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFOS/c13-10-1-2-11(14)9(5-10)6-12(15)8-3-4-16-7-8/h1-5,7,12,15H,6H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-thiophen-3-ylethanol?
2-(5-chloro-2-fluorophenyl)-1-thiophen-3-ylethanol has a molecular weight of 256.73 g/mol, XLogP of 3.82, 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-thiophen-3-ylethanol is sourced from PubChem (CID 103047544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).