2-(4-chloro-2-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol

C12H9Cl2FOS — CID 114852395

IUPAC2-(4-chloro-2-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol
SMILESOC(Cc1ccc(Cl)cc1F)c1cc(Cl)cs1
InChIInChI=1S/C12H9Cl2FOS/c13-8-2-1-7(10(15)4-8)3-11(16)12-5-9(14)6-17-12/h1-2,4-6,11,16H,3H2
InChIKeyCFQOGZMKKXEMAS-UHFFFAOYSA-N
MW291.17 g/mol
LogP4.47
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol

2-(4-chloro-2-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol (PubChem CID 114852395) has the molecular formula C12H9Cl2FOS and a molecular weight of 291.17 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol
PubChem CID114852395
Molecular FormulaC12H9Cl2FOS
Molecular Weight291.17 g/mol
Exact Mass289.97
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol
SMILESOC(Cc1ccc(Cl)cc1F)c1cc(Cl)cs1
InChIInChI=1S/C12H9Cl2FOS/c13-8-2-1-7(10(15)4-8)3-11(16)12-5-9(14)6-17-12/h1-2,4-6,11,16H,3H2
InChIKeyCFQOGZMKKXEMAS-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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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol
CID 79427421
1-(4-chlorothiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 79427974
2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 114852713
2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115839677
2-(3-chloro-4-pyridinyl)-1-(4-chlorothiophen-2-yl)ethanol
CID 79427524
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 114852109
1-(4-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanol
CID 79427096
2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105132939
1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
1-(2-chloro-6-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114851983
1-(5-bromofuran-2-yl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114851950
1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 114854584

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol (CID 114852395) is 2-(4-chloro-2-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol is OC(Cc1ccc(Cl)cc1F)c1cc(Cl)cs1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol?
The InChIKey is CFQOGZMKKXEMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FOS/c13-8-2-1-7(10(15)4-8)3-11(16)12-5-9(14)6-17-12/h1-2,4-6,11,16H,3H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol?
2-(4-chloro-2-fluorophenyl)-1-(4-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-(4-chloro-2-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol is sourced from PubChem (CID 114852395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).