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

C12H10ClFOS — CID 79427974

IUPAC1-(4-chlorothiophen-2-yl)-2-(4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1)c1cc(Cl)cs1
InChIInChI=1S/C12H10ClFOS/c13-9-6-12(16-7-9)11(15)5-8-1-3-10(14)4-2-8/h1-4,6-7,11,15H,5H2
InChIKeyHUWGZWSNMYYBIX-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.82
Rot. Bonds3

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

1-(4-chlorothiophen-2-yl)-2-(4-fluorophenyl)ethanol (PubChem CID 79427974) has the molecular formula C12H10ClFOS and a molecular weight of 256.73 g/mol. Its IUPAC name is 1-(4-chlorothiophen-2-yl)-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-chlorothiophen-2-yl)-2-(4-fluorophenyl)ethanol
PubChem CID79427974
Molecular FormulaC12H10ClFOS
Molecular Weight256.73 g/mol
Exact Mass256.01
IUPAC Name1-(4-chlorothiophen-2-yl)-2-(4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1)c1cc(Cl)cs1
InChIInChI=1S/C12H10ClFOS/c13-9-6-12(16-7-9)11(15)5-8-1-3-10(14)4-2-8/h1-4,6-7,11,15H,5H2
InChIKeyHUWGZWSNMYYBIX-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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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol
CID 79427421
2-(4-chloro-2-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol
CID 114852395
1-(4-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanol
CID 79427096
1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 79825207
2-(3-chloro-4-pyridinyl)-1-(4-chlorothiophen-2-yl)ethanol
CID 79427524
1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642016
1-(4-chlorothiophen-2-yl)-4-methylpentan-1-ol
CID 79426773
1-(4-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 82403069
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 61100110
1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 61080789
1-(4-chlorothiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 79427873
2-(3,4-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 81129056

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-2-yl)-2-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(4-chlorothiophen-2-yl)-2-(4-fluorophenyl)ethanol (CID 79427974) is 1-(4-chlorothiophen-2-yl)-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(4-chlorothiophen-2-yl)-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(4-chlorothiophen-2-yl)-2-(4-fluorophenyl)ethanol is OC(Cc1ccc(F)cc1)c1cc(Cl)cs1.
What is the InChIKey of 1-(4-chlorothiophen-2-yl)-2-(4-fluorophenyl)ethanol?
The InChIKey is HUWGZWSNMYYBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFOS/c13-9-6-12(16-7-9)11(15)5-8-1-3-10(14)4-2-8/h1-4,6-7,11,15H,5H2.
What are the key properties of 1-(4-chlorothiophen-2-yl)-2-(4-fluorophenyl)ethanol?
1-(4-chlorothiophen-2-yl)-2-(4-fluorophenyl)ethanol 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 1-(4-chlorothiophen-2-yl)-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 79427974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).