2,2,2-trifluoro-1-(3-phenylthiophen-2-yl)ethanol

C12H9F3OS — CID 20571132

IUPAC2,2,2-trifluoro-1-(3-phenylthiophen-2-yl)ethanol
SMILESOC(c1sccc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H9F3OS/c13-12(14,15)11(16)10-9(6-7-17-10)8-4-2-1-3-5-8/h1-7,11,16H
InChIKeyWJANZFLXQBONLG-UHFFFAOYSA-N
MW258.26 g/mol
LogP4.01
Rot. Bonds2

About 2,2,2-trifluoro-1-(3-phenylthiophen-2-yl)ethanol

2,2,2-trifluoro-1-(3-phenylthiophen-2-yl)ethanol (PubChem CID 20571132) has the molecular formula C12H9F3OS and a molecular weight of 258.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-phenylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-phenylthiophen-2-yl)ethanol
PubChem CID20571132
Molecular FormulaC12H9F3OS
Molecular Weight258.26 g/mol
Exact Mass258.03
IUPAC Name2,2,2-trifluoro-1-(3-phenylthiophen-2-yl)ethanol
SMILESOC(c1sccc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H9F3OS/c13-12(14,15)11(16)10-9(6-7-17-10)8-4-2-1-3-5-8/h1-7,11,16H
InChIKeyWJANZFLXQBONLG-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
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-(3-phenylthiophen-2-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(3-phenylthiophen-2-yl)ethanol (CID 20571132) is 2,2,2-trifluoro-1-(3-phenylthiophen-2-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-phenylthiophen-2-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(3-phenylthiophen-2-yl)ethanol is OC(c1sccc1-c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-phenylthiophen-2-yl)ethanol?
The InChIKey is WJANZFLXQBONLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3OS/c13-12(14,15)11(16)10-9(6-7-17-10)8-4-2-1-3-5-8/h1-7,11,16H.
What are the key properties of 2,2,2-trifluoro-1-(3-phenylthiophen-2-yl)ethanol?
2,2,2-trifluoro-1-(3-phenylthiophen-2-yl)ethanol has a molecular weight of 258.26 g/mol, XLogP of 4.01, 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-(3-phenylthiophen-2-yl)ethanol is sourced from PubChem (CID 20571132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).