5-(2,2-difluoroethoxy)-2-propan-2-yl-1,3-thiazole

C8H11F2NOS — CID 166087640

IUPAC5-(2,2-difluoroethoxy)-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(OCC(F)F)s1
InChIInChI=1S/C8H11F2NOS/c1-5(2)8-11-3-7(13-8)12-4-6(9)10/h3,5-6H,4H2,1-2H3
InChIKeyXTOZQWBZQSFALF-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.91
Rot. Bonds4

About 5-(2,2-difluoroethoxy)-2-propan-2-yl-1,3-thiazole

5-(2,2-difluoroethoxy)-2-propan-2-yl-1,3-thiazole (PubChem CID 166087640) has the molecular formula C8H11F2NOS and a molecular weight of 207.24 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-2-propan-2-yl-1,3-thiazole
PubChem CID166087640
Molecular FormulaC8H11F2NOS
Molecular Weight207.24 g/mol
Exact Mass207.05
IUPAC Name5-(2,2-difluoroethoxy)-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(OCC(F)F)s1
InChIInChI=1S/C8H11F2NOS/c1-5(2)8-11-3-7(13-8)12-4-6(9)10/h3,5-6H,4H2,1-2H3
InChIKeyXTOZQWBZQSFALF-UHFFFAOYSA-N
XLogP2.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-(2,2-difluoroethoxy)-2-propan-2-yl-1,3-thiazole (CID 166087640) is 5-(2,2-difluoroethoxy)-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-(2,2-difluoroethoxy)-2-propan-2-yl-1,3-thiazole is CC(C)c1ncc(OCC(F)F)s1.
What is the InChIKey of 5-(2,2-difluoroethoxy)-2-propan-2-yl-1,3-thiazole?
The InChIKey is XTOZQWBZQSFALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NOS/c1-5(2)8-11-3-7(13-8)12-4-6(9)10/h3,5-6H,4H2,1-2H3.
What are the key properties of 5-(2,2-difluoroethoxy)-2-propan-2-yl-1,3-thiazole?
5-(2,2-difluoroethoxy)-2-propan-2-yl-1,3-thiazole has a molecular weight of 207.24 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 166087640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).