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

C5H4F3NOS — CID 50990575

IUPAC2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanol
SMILESOC(c1nccs1)C(F)(F)F
InChIInChI=1S/C5H4F3NOS/c6-5(7,8)3(10)4-9-1-2-11-4/h1-3,10H
InChIKeyOZYOWBJWGFJRIJ-UHFFFAOYSA-N
MW183.15 g/mol
LogP1.74
Rot. Bonds1

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

2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanol (PubChem CID 50990575) has the molecular formula C5H4F3NOS and a molecular weight of 183.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanol
PubChem CID50990575
Molecular FormulaC5H4F3NOS
Molecular Weight183.15 g/mol
Exact Mass183.00
IUPAC Name2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanol
SMILESOC(c1nccs1)C(F)(F)F
InChIInChI=1S/C5H4F3NOS/c6-5(7,8)3(10)4-9-1-2-11-4/h1-3,10H
InChIKeyOZYOWBJWGFJRIJ-UHFFFAOYSA-N
XLogP1.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanol (CID 50990575) is 2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanol is OC(c1nccs1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanol?
The InChIKey is OZYOWBJWGFJRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NOS/c6-5(7,8)3(10)4-9-1-2-11-4/h1-3,10H.
What are the key properties of 2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanol?
2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanol has a molecular weight of 183.15 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 50990575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).