2-(2,2-difluoroethoxy)-1,3-thiazole

C5H5F2NOS — CID 126953994

IUPAC2-(2,2-difluoroethoxy)-1,3-thiazole
SMILESFC(F)COc1nccs1
InChIInChI=1S/C5H5F2NOS/c6-4(7)3-9-5-8-1-2-10-5/h1-2,4H,3H2
InChIKeySVKMGQBTIVHBHA-UHFFFAOYSA-N
MW165.16 g/mol
LogP1.79
Rot. Bonds3

About 2-(2,2-difluoroethoxy)-1,3-thiazole

2-(2,2-difluoroethoxy)-1,3-thiazole (PubChem CID 126953994) has the molecular formula C5H5F2NOS and a molecular weight of 165.16 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-1,3-thiazole
PubChem CID126953994
Molecular FormulaC5H5F2NOS
Molecular Weight165.16 g/mol
Exact Mass165.01
IUPAC Name2-(2,2-difluoroethoxy)-1,3-thiazole
SMILESFC(F)COc1nccs1
InChIInChI=1S/C5H5F2NOS/c6-4(7)3-9-5-8-1-2-10-5/h1-2,4H,3H2
InChIKeySVKMGQBTIVHBHA-UHFFFAOYSA-N
XLogP1.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-1,3-thiazole?
The IUPAC name of 2-(2,2-difluoroethoxy)-1,3-thiazole (CID 126953994) is 2-(2,2-difluoroethoxy)-1,3-thiazole.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-1,3-thiazole?
The canonical SMILES for 2-(2,2-difluoroethoxy)-1,3-thiazole is FC(F)COc1nccs1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-1,3-thiazole?
The InChIKey is SVKMGQBTIVHBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NOS/c6-4(7)3-9-5-8-1-2-10-5/h1-2,4H,3H2.
What are the key properties of 2-(2,2-difluoroethoxy)-1,3-thiazole?
2-(2,2-difluoroethoxy)-1,3-thiazole has a molecular weight of 165.16 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-1,3-thiazole is sourced from PubChem (CID 126953994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).