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

C5H5F2NOS — CID 86775222

IUPAC2,2-difluoro-2-(1,3-thiazol-2-yl)ethanol
SMILESOCC(F)(F)c1nccs1
InChIInChI=1S/C5H5F2NOS/c6-5(7,3-9)4-8-1-2-10-4/h1-2,9H,3H2
InChIKeyYINZJJKGXUXWNJ-UHFFFAOYSA-N
MW165.16 g/mol
LogP1.23
Rot. Bonds2

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

2,2-difluoro-2-(1,3-thiazol-2-yl)ethanol (PubChem CID 86775222) has the molecular formula C5H5F2NOS and a molecular weight of 165.16 g/mol. Its IUPAC name is 2,2-difluoro-2-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-(1,3-thiazol-2-yl)ethanol
PubChem CID86775222
Molecular FormulaC5H5F2NOS
Molecular Weight165.16 g/mol
Exact Mass165.01
IUPAC Name2,2-difluoro-2-(1,3-thiazol-2-yl)ethanol
SMILESOCC(F)(F)c1nccs1
InChIInChI=1S/C5H5F2NOS/c6-5(7,3-9)4-8-1-2-10-4/h1-2,9H,3H2
InChIKeyYINZJJKGXUXWNJ-UHFFFAOYSA-N
XLogP1.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 2,2-difluoro-2-(1,3-thiazol-2-yl)ethanol (CID 86775222) is 2,2-difluoro-2-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-2-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 2,2-difluoro-2-(1,3-thiazol-2-yl)ethanol is OCC(F)(F)c1nccs1.
What is the InChIKey of 2,2-difluoro-2-(1,3-thiazol-2-yl)ethanol?
The InChIKey is YINZJJKGXUXWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NOS/c6-5(7,3-9)4-8-1-2-10-4/h1-2,9H,3H2.
What are the key properties of 2,2-difluoro-2-(1,3-thiazol-2-yl)ethanol?
2,2-difluoro-2-(1,3-thiazol-2-yl)ethanol has a molecular weight of 165.16 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 86775222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).