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

Related Compounds

4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
3-[3-(trifluoromethyl)phenoxy]-1,2-benzothiazole 1,1-dioxide
CID 14765032
5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 13336606
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
3-[3-(trifluoromethyl)phenoxy]benzaldehyde
CID 522711
4-[3-(trifluoromethyl)phenoxy]aniline
CID 2760750
5-[3-(trifluoromethyl)phenoxy]benzene-1,3-diamine
CID 126478251
4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole 1,1-dioxide
CID 117191160
2-methyl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carbonyl chloride
CID 15104281
6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 4271775
ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate
CID 133056470
1-fluorosulfonyloxy-3-(trifluoromethyl)benzene
CID 71651266

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).