4-[3-(trifluoromethyl)phenoxy]-1,2-thiazole 1,1-dioxide

C10H6F3NO3S — CID 117233743

IUPAC4-[3-(trifluoromethyl)phenoxy]-1,2-thiazole 1,1-dioxide
SMILESO=S1(=O)C=C(Oc2cccc(C(F)(F)F)c2)C=N1
InChIInChI=1S/C10H6F3NO3S/c11-10(12,13)7-2-1-3-8(4-7)17-9-5-14-18(15,16)6-9/h1-6H
InChIKeyRRBWIMOKNXKPBD-UHFFFAOYSA-N
MW277.22 g/mol
LogP2.34
Rot. Bonds2

About 4-[3-(trifluoromethyl)phenoxy]-1,2-thiazole 1,1-dioxide

4-[3-(trifluoromethyl)phenoxy]-1,2-thiazole 1,1-dioxide (PubChem CID 117233743) has the molecular formula C10H6F3NO3S and a molecular weight of 277.22 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenoxy]-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenoxy]-1,2-thiazole 1,1-dioxide
PubChem CID117233743
Molecular FormulaC10H6F3NO3S
Molecular Weight277.22 g/mol
Exact Mass277.00
IUPAC Name4-[3-(trifluoromethyl)phenoxy]-1,2-thiazole 1,1-dioxide
SMILESO=S1(=O)C=C(Oc2cccc(C(F)(F)F)c2)C=N1
InChIInChI=1S/C10H6F3NO3S/c11-10(12,13)7-2-1-3-8(4-7)17-9-5-14-18(15,16)6-9/h1-6H
InChIKeyRRBWIMOKNXKPBD-UHFFFAOYSA-N
XLogP2.34
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3-(trifluoromethyl)phenoxy]-1,2-thiazole 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)phenoxy]-1,2-thiazole 1,1-dioxide?
The IUPAC name of 4-[3-(trifluoromethyl)phenoxy]-1,2-thiazole 1,1-dioxide (CID 117233743) is 4-[3-(trifluoromethyl)phenoxy]-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenoxy]-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 4-[3-(trifluoromethyl)phenoxy]-1,2-thiazole 1,1-dioxide is O=S1(=O)C=C(Oc2cccc(C(F)(F)F)c2)C=N1.
What is the InChIKey of 4-[3-(trifluoromethyl)phenoxy]-1,2-thiazole 1,1-dioxide?
The InChIKey is RRBWIMOKNXKPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO3S/c11-10(12,13)7-2-1-3-8(4-7)17-9-5-14-18(15,16)6-9/h1-6H.
What are the key properties of 4-[3-(trifluoromethyl)phenoxy]-1,2-thiazole 1,1-dioxide?
4-[3-(trifluoromethyl)phenoxy]-1,2-thiazole 1,1-dioxide has a molecular weight of 277.22 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)phenoxy]-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 117233743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).