2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol

C12H8Cl3FOS — CID 61083005

IUPAC2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
SMILESOC(Cc1c(F)cccc1Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H8Cl3FOS/c13-8-2-1-3-9(16)6(8)4-10(17)7-5-11(14)18-12(7)15/h1-3,5,10,17H,4H2
InChIKeyYFVRKKKAWPRDHG-UHFFFAOYSA-N
MW325.62 g/mol
LogP5.12
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol

2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol (PubChem CID 61083005) has the molecular formula C12H8Cl3FOS and a molecular weight of 325.62 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
PubChem CID61083005
Molecular FormulaC12H8Cl3FOS
Molecular Weight325.62 g/mol
Exact Mass323.93
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
SMILESOC(Cc1c(F)cccc1Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H8Cl3FOS/c13-8-2-1-3-9(16)6(8)4-10(17)7-5-11(14)18-12(7)15/h1-3,5,10,17H,4H2
InChIKeyYFVRKKKAWPRDHG-UHFFFAOYSA-N
XLogP5.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.62
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 43344854
N-[2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497746
2-(2-chloro-6-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol
CID 61087611
1-(3-chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanol
CID 81263148
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 82891487
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanol
CID 63017670
2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 81478146
[2-(2,6-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine
CID 107970147
2-(2-chloro-6-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62388239
2-(2-chloro-6-fluorophenyl)-1-(3-chlorophenyl)ethanol
CID 61495863
1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol
CID 107965715
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 63426367

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol (CID 61083005) is 2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol is OC(Cc1c(F)cccc1Cl)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol?
The InChIKey is YFVRKKKAWPRDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3FOS/c13-8-2-1-3-9(16)6(8)4-10(17)7-5-11(14)18-12(7)15/h1-3,5,10,17H,4H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol?
2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol has a molecular weight of 325.62 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol is sourced from PubChem (CID 61083005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).