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

C10H8F3NOS — CID 2725839

IUPAC3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H8F3NOS/c11-10(12,13)7-1-3-8(4-2-7)14-6-16-5-9(14)15/h1-4H,5-6H2
InChIKeyKEKWCAINDSWEGE-UHFFFAOYSA-N
MW247.24 g/mol
LogP2.74
Rot. Bonds1

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

3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 2725839) has the molecular formula C10H8F3NOS and a molecular weight of 247.24 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID2725839
Molecular FormulaC10H8F3NOS
Molecular Weight247.24 g/mol
Exact Mass247.03
IUPAC Name3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H8F3NOS/c11-10(12,13)7-1-3-8(4-2-7)14-6-16-5-9(14)15/h1-4H,5-6H2
InChIKeyKEKWCAINDSWEGE-UHFFFAOYSA-N
XLogP2.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 2725839) is 3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is O=C1CSCN1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is KEKWCAINDSWEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NOS/c11-10(12,13)7-1-3-8(4-2-7)14-6-16-5-9(14)15/h1-4H,5-6H2.
What are the key properties of 3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 247.24 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2725839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).