5-tert-butyl-3-(2,2-difluoroethoxy)-1,2-thiazole

C9H13F2NOS — CID 168743302

IUPAC5-tert-butyl-3-(2,2-difluoroethoxy)-1,2-thiazole
SMILESCC(C)(C)c1cc(OCC(F)F)ns1
InChIInChI=1S/C9H13F2NOS/c1-9(2,3)6-4-8(12-14-6)13-5-7(10)11/h4,7H,5H2,1-3H3
InChIKeyANBSIFUENSCYBH-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.08
Rot. Bonds3

About 5-tert-butyl-3-(2,2-difluoroethoxy)-1,2-thiazole

5-tert-butyl-3-(2,2-difluoroethoxy)-1,2-thiazole (PubChem CID 168743302) has the molecular formula C9H13F2NOS and a molecular weight of 221.27 g/mol. Its IUPAC name is 5-tert-butyl-3-(2,2-difluoroethoxy)-1,2-thiazole.

Molecular Properties

Compound Name5-tert-butyl-3-(2,2-difluoroethoxy)-1,2-thiazole
PubChem CID168743302
Molecular FormulaC9H13F2NOS
Molecular Weight221.27 g/mol
Exact Mass221.07
IUPAC Name5-tert-butyl-3-(2,2-difluoroethoxy)-1,2-thiazole
SMILESCC(C)(C)c1cc(OCC(F)F)ns1
InChIInChI=1S/C9H13F2NOS/c1-9(2,3)6-4-8(12-14-6)13-5-7(10)11/h4,7H,5H2,1-3H3
InChIKeyANBSIFUENSCYBH-UHFFFAOYSA-N
XLogP3.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(2,2-difluoroethoxy)-1,2-thiazole?
The IUPAC name of 5-tert-butyl-3-(2,2-difluoroethoxy)-1,2-thiazole (CID 168743302) is 5-tert-butyl-3-(2,2-difluoroethoxy)-1,2-thiazole.
What is the SMILES notation for 5-tert-butyl-3-(2,2-difluoroethoxy)-1,2-thiazole?
The canonical SMILES for 5-tert-butyl-3-(2,2-difluoroethoxy)-1,2-thiazole is CC(C)(C)c1cc(OCC(F)F)ns1.
What is the InChIKey of 5-tert-butyl-3-(2,2-difluoroethoxy)-1,2-thiazole?
The InChIKey is ANBSIFUENSCYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NOS/c1-9(2,3)6-4-8(12-14-6)13-5-7(10)11/h4,7H,5H2,1-3H3.
What are the key properties of 5-tert-butyl-3-(2,2-difluoroethoxy)-1,2-thiazole?
5-tert-butyl-3-(2,2-difluoroethoxy)-1,2-thiazole has a molecular weight of 221.27 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(2,2-difluoroethoxy)-1,2-thiazole is sourced from PubChem (CID 168743302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).