4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole 1,1-dioxide

C11H8F3NO3S — CID 117191160

IUPAC4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole 1,1-dioxide
SMILESO=S1(=O)C=NC(COc2cccc(C(F)(F)F)c2)=C1
InChIInChI=1S/C11H8F3NO3S/c12-11(13,14)8-2-1-3-10(4-8)18-5-9-6-19(16,17)7-15-9/h1-4,6-7H,5H2
InChIKeyGODKAYPQHUJCFD-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.38
Rot. Bonds3

About 4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole 1,1-dioxide

4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole 1,1-dioxide (PubChem CID 117191160) has the molecular formula C11H8F3NO3S and a molecular weight of 291.25 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole 1,1-dioxide.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole 1,1-dioxide
PubChem CID117191160
Molecular FormulaC11H8F3NO3S
Molecular Weight291.25 g/mol
Exact Mass291.02
IUPAC Name4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole 1,1-dioxide
SMILESO=S1(=O)C=NC(COc2cccc(C(F)(F)F)c2)=C1
InChIInChI=1S/C11H8F3NO3S/c12-11(13,14)8-2-1-3-10(4-8)18-5-9-6-19(16,17)7-15-9/h1-4,6-7H,5H2
InChIKeyGODKAYPQHUJCFD-UHFFFAOYSA-N
XLogP2.38
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole 1,1-dioxide?
The IUPAC name of 4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole 1,1-dioxide (CID 117191160) is 4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole 1,1-dioxide.
What is the SMILES notation for 4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole 1,1-dioxide?
The canonical SMILES for 4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole 1,1-dioxide is O=S1(=O)C=NC(COc2cccc(C(F)(F)F)c2)=C1.
What is the InChIKey of 4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole 1,1-dioxide?
The InChIKey is GODKAYPQHUJCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO3S/c12-11(13,14)8-2-1-3-10(4-8)18-5-9-6-19(16,17)7-15-9/h1-4,6-7H,5H2.
What are the key properties of 4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole 1,1-dioxide?
4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole 1,1-dioxide has a molecular weight of 291.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole 1,1-dioxide is sourced from PubChem (CID 117191160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).