2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol

C12H9F3OS — CID 12034523

IUPAC2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol
SMILESOC(c1ccccc1)(c1cccs1)C(F)(F)F
InChIInChI=1S/C12H9F3OS/c13-12(14,15)11(16,10-7-4-8-17-10)9-5-2-1-3-6-9/h1-8,16H
InChIKeyKJGSPSPGFOCSDX-UHFFFAOYSA-N
MW258.26 g/mol
LogP3.55
Rot. Bonds2

About 2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol

2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol (PubChem CID 12034523) has the molecular formula C12H9F3OS and a molecular weight of 258.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol
PubChem CID12034523
Molecular FormulaC12H9F3OS
Molecular Weight258.26 g/mol
Exact Mass258.03
IUPAC Name2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol
SMILESOC(c1ccccc1)(c1cccs1)C(F)(F)F
InChIInChI=1S/C12H9F3OS/c13-12(14,15)11(16,10-7-4-8-17-10)9-5-2-1-3-6-9/h1-8,16H
InChIKeyKJGSPSPGFOCSDX-UHFFFAOYSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol?
The IUPAC name of 2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol (CID 12034523) is 2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol?
The canonical SMILES for 2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol is OC(c1ccccc1)(c1cccs1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol?
The InChIKey is KJGSPSPGFOCSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3OS/c13-12(14,15)11(16,10-7-4-8-17-10)9-5-2-1-3-6-9/h1-8,16H.
What are the key properties of 2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol?
2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol has a molecular weight of 258.26 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol is sourced from PubChem (CID 12034523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).