3-[2-(trifluoromethoxy)ethyl]-1,3-thiazol-2-one

C6H6F3NO2S — CID 116622715

IUPAC3-[2-(trifluoromethoxy)ethyl]-1,3-thiazol-2-one
SMILESO=c1sccn1CCOC(F)(F)F
InChIInChI=1S/C6H6F3NO2S/c7-6(8,9)12-3-1-10-2-4-13-5(10)11/h2,4H,1,3H2
InChIKeyAYNHVIICPOQXLH-UHFFFAOYSA-N
MW213.18 g/mol
LogP1.45
Rot. Bonds3

About 3-[2-(trifluoromethoxy)ethyl]-1,3-thiazol-2-one

3-[2-(trifluoromethoxy)ethyl]-1,3-thiazol-2-one (PubChem CID 116622715) has the molecular formula C6H6F3NO2S and a molecular weight of 213.18 g/mol. Its IUPAC name is 3-[2-(trifluoromethoxy)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(trifluoromethoxy)ethyl]-1,3-thiazol-2-one
PubChem CID116622715
Molecular FormulaC6H6F3NO2S
Molecular Weight213.18 g/mol
Exact Mass213.01
IUPAC Name3-[2-(trifluoromethoxy)ethyl]-1,3-thiazol-2-one
SMILESO=c1sccn1CCOC(F)(F)F
InChIInChI=1S/C6H6F3NO2S/c7-6(8,9)12-3-1-10-2-4-13-5(10)11/h2,4H,1,3H2
InChIKeyAYNHVIICPOQXLH-UHFFFAOYSA-N
XLogP1.45
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2,2-Trifluoroethoxymethyl)-1,3-thiazol-2-one
CID 106706330
3-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-2-one
CID 115659269
3-(2-Methoxyethyl)-1,3-thiazol-2-one
CID 115646842
3-(2-Ethoxyethyl)-1,3-thiazol-2-one
CID 115749770

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethoxy)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(trifluoromethoxy)ethyl]-1,3-thiazol-2-one (CID 116622715) is 3-[2-(trifluoromethoxy)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(trifluoromethoxy)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(trifluoromethoxy)ethyl]-1,3-thiazol-2-one is O=c1sccn1CCOC(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethoxy)ethyl]-1,3-thiazol-2-one?
The InChIKey is AYNHVIICPOQXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO2S/c7-6(8,9)12-3-1-10-2-4-13-5(10)11/h2,4H,1,3H2.
What are the key properties of 3-[2-(trifluoromethoxy)ethyl]-1,3-thiazol-2-one?
3-[2-(trifluoromethoxy)ethyl]-1,3-thiazol-2-one has a molecular weight of 213.18 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethoxy)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 116622715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).