3,3,3-trifluoro-2-hydroxy-1-thiophen-2-ylpropan-1-one

C7H5F3O2S — CID 10774790

IUPAC3,3,3-trifluoro-2-hydroxy-1-thiophen-2-ylpropan-1-one
SMILESO=C(c1cccs1)C(O)C(F)(F)F
InChIInChI=1S/C7H5F3O2S/c8-7(9,10)6(12)5(11)4-2-1-3-13-4/h1-3,6,12H
InChIKeyGTWFWABAUVWYOT-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.85
Rot. Bonds2

About 3,3,3-trifluoro-2-hydroxy-1-thiophen-2-ylpropan-1-one

3,3,3-trifluoro-2-hydroxy-1-thiophen-2-ylpropan-1-one (PubChem CID 10774790) has the molecular formula C7H5F3O2S and a molecular weight of 210.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-1-thiophen-2-ylpropan-1-one
PubChem CID10774790
Molecular FormulaC7H5F3O2S
Molecular Weight210.18 g/mol
Exact Mass210.00
IUPAC Name3,3,3-trifluoro-2-hydroxy-1-thiophen-2-ylpropan-1-one
SMILESO=C(c1cccs1)C(O)C(F)(F)F
InChIInChI=1S/C7H5F3O2S/c8-7(9,10)6(12)5(11)4-2-1-3-13-4/h1-3,6,12H
InChIKeyGTWFWABAUVWYOT-UHFFFAOYSA-N
XLogP1.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-1-thiophen-2-ylpropan-1-one (CID 10774790) is 3,3,3-trifluoro-2-hydroxy-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-1-thiophen-2-ylpropan-1-one is O=C(c1cccs1)C(O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-1-thiophen-2-ylpropan-1-one?
The InChIKey is GTWFWABAUVWYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O2S/c8-7(9,10)6(12)5(11)4-2-1-3-13-4/h1-3,6,12H.
What are the key properties of 3,3,3-trifluoro-2-hydroxy-1-thiophen-2-ylpropan-1-one?
3,3,3-trifluoro-2-hydroxy-1-thiophen-2-ylpropan-1-one has a molecular weight of 210.18 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 10774790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).