2-thiophen-2-yl-1-(2,4,6-trifluorophenyl)ethanol

C12H9F3OS — CID 65100301

IUPAC2-thiophen-2-yl-1-(2,4,6-trifluorophenyl)ethanol
SMILESOC(Cc1cccs1)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H9F3OS/c13-7-4-9(14)12(10(15)5-7)11(16)6-8-2-1-3-17-8/h1-5,11,16H,6H2
InChIKeyNQQIZXOOOCKIJO-UHFFFAOYSA-N
MW258.26 g/mol
LogP3.44
Rot. Bonds3

About 2-thiophen-2-yl-1-(2,4,6-trifluorophenyl)ethanol

2-thiophen-2-yl-1-(2,4,6-trifluorophenyl)ethanol (PubChem CID 65100301) has the molecular formula C12H9F3OS and a molecular weight of 258.26 g/mol. Its IUPAC name is 2-thiophen-2-yl-1-(2,4,6-trifluorophenyl)ethanol.

Molecular Properties

Compound Name2-thiophen-2-yl-1-(2,4,6-trifluorophenyl)ethanol
PubChem CID65100301
Molecular FormulaC12H9F3OS
Molecular Weight258.26 g/mol
Exact Mass258.03
IUPAC Name2-thiophen-2-yl-1-(2,4,6-trifluorophenyl)ethanol
SMILESOC(Cc1cccs1)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H9F3OS/c13-7-4-9(14)12(10(15)5-7)11(16)6-8-2-1-3-17-8/h1-5,11,16H,6H2
InChIKeyNQQIZXOOOCKIJO-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-2-thiophen-2-ylethanol
CID 62608803
1-(2,5-difluorophenyl)-2-thiophen-2-ylethanol
CID 62802428
1-(3-bromo-2,6-difluorophenyl)-2-thiophen-2-ylethanol
CID 106941958
1-(2-fluorophenyl)-2-thiophen-2-ylethanol
CID 62501519
1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
CID 62607449
1-(5-chlorothiophen-3-yl)-2-thiophen-2-ylethanol
CID 130767599
1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 62500658
1-(2-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
CID 81477466
1-(3-chloro-2-fluorophenyl)-2-thiophen-2-ylethanol
CID 64713103
1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 114854584
1-(3-aminophenyl)-2-thiophen-2-ylethanol
CID 106695892
4-amino-1-thiophen-2-ylbutan-2-ol
CID 71778098

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1-(2,4,6-trifluorophenyl)ethanol?
The IUPAC name of 2-thiophen-2-yl-1-(2,4,6-trifluorophenyl)ethanol (CID 65100301) is 2-thiophen-2-yl-1-(2,4,6-trifluorophenyl)ethanol.
What is the SMILES notation for 2-thiophen-2-yl-1-(2,4,6-trifluorophenyl)ethanol?
The canonical SMILES for 2-thiophen-2-yl-1-(2,4,6-trifluorophenyl)ethanol is OC(Cc1cccs1)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-thiophen-2-yl-1-(2,4,6-trifluorophenyl)ethanol?
The InChIKey is NQQIZXOOOCKIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3OS/c13-7-4-9(14)12(10(15)5-7)11(16)6-8-2-1-3-17-8/h1-5,11,16H,6H2.
What are the key properties of 2-thiophen-2-yl-1-(2,4,6-trifluorophenyl)ethanol?
2-thiophen-2-yl-1-(2,4,6-trifluorophenyl)ethanol has a molecular weight of 258.26 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1-(2,4,6-trifluorophenyl)ethanol is sourced from PubChem (CID 65100301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).