2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one

C18H15F4NO2S — CID 3287283

IUPAC2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(C(F)(F)F)c(F)c2)N1CCOc1ccccc1
InChIInChI=1S/C18H15F4NO2S/c19-15-10-12(6-7-14(15)18(20,21)22)17-23(16(24)11-26-17)8-9-25-13-4-2-1-3-5-13/h1-7,10,17H,8-9,11H2
InChIKeyHVDOLTCELCCLEZ-UHFFFAOYSA-N
MW385.38 g/mol
LogP4.50
Rot. Bonds5

About 2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one

2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one (PubChem CID 3287283) has the molecular formula C18H15F4NO2S and a molecular weight of 385.38 g/mol. Its IUPAC name is 2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one
PubChem CID3287283
Molecular FormulaC18H15F4NO2S
Molecular Weight385.38 g/mol
Exact Mass385.08
IUPAC Name2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(C(F)(F)F)c(F)c2)N1CCOc1ccccc1
InChIInChI=1S/C18H15F4NO2S/c19-15-10-12(6-7-14(15)18(20,21)22)17-23(16(24)11-26-17)8-9-25-13-4-2-1-3-5-13/h1-7,10,17H,8-9,11H2
InChIKeyHVDOLTCELCCLEZ-UHFFFAOYSA-N
XLogP4.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one (CID 3287283) is 2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(C(F)(F)F)c(F)c2)N1CCOc1ccccc1.
What is the InChIKey of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one?
The InChIKey is HVDOLTCELCCLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4NO2S/c19-15-10-12(6-7-14(15)18(20,21)22)17-23(16(24)11-26-17)8-9-25-13-4-2-1-3-5-13/h1-7,10,17H,8-9,11H2.
What are the key properties of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one?
2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one has a molecular weight of 385.38 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3287283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).