3-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-one

C6H6F3NO2S — CID 106706330

IUPAC3-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-one
SMILESO=c1sccn1COCC(F)(F)F
InChIInChI=1S/C6H6F3NO2S/c7-6(8,9)3-12-4-10-1-2-13-5(10)11/h1-2H,3-4H2
InChIKeyPZTUSVBQNVZDHZ-UHFFFAOYSA-N
MW213.18 g/mol
LogP1.45
Rot. Bonds3

About 3-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-one

3-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-one (PubChem CID 106706330) has the molecular formula C6H6F3NO2S and a molecular weight of 213.18 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-one
PubChem CID106706330
Molecular FormulaC6H6F3NO2S
Molecular Weight213.18 g/mol
Exact Mass213.01
IUPAC Name3-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-one
SMILESO=c1sccn1COCC(F)(F)F
InChIInChI=1S/C6H6F3NO2S/c7-6(8,9)3-12-4-10-1-2-13-5(10)11/h1-2H,3-4H2
InChIKeyPZTUSVBQNVZDHZ-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-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-2-one
CID 115659269
3-[2-(Trifluoromethoxy)ethyl]-1,3-thiazol-2-one
CID 116622715
3-(Ethoxymethyl)-1,3-thiazol-2-one
CID 104599328

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-one (CID 106706330) is 3-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-one is O=c1sccn1COCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-one?
The InChIKey is PZTUSVBQNVZDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO2S/c7-6(8,9)3-12-4-10-1-2-13-5(10)11/h1-2H,3-4H2.
What are the key properties of 3-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-one?
3-(2,2,2-trifluoroethoxymethyl)-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-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 106706330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).