(4R)-4-(trifluoromethyl)-1,3-thiazolidin-2-one

C4H4F3NOS — CID 131089394

IUPAC(4R)-4-(trifluoromethyl)-1,3-thiazolidin-2-one
SMILESO=C1N[C@H](C(F)(F)F)CS1
InChIInChI=1S/C4H4F3NOS/c5-4(6,7)2-1-10-3(9)8-2/h2H,1H2,(H,8,9)/t2-/m0/s1
InChIKeyHLSHGLFQKALHDB-REOHCLBHSA-N
MW171.14 g/mol
LogP1.37
Rot. Bonds

About (4R)-4-(trifluoromethyl)-1,3-thiazolidin-2-one

(4R)-4-(trifluoromethyl)-1,3-thiazolidin-2-one (PubChem CID 131089394) has the molecular formula C4H4F3NOS and a molecular weight of 171.14 g/mol. Its IUPAC name is (4R)-4-(trifluoromethyl)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(trifluoromethyl)-1,3-thiazolidin-2-one
PubChem CID131089394
Molecular FormulaC4H4F3NOS
Molecular Weight171.14 g/mol
Exact Mass171.00
IUPAC Name(4R)-4-(trifluoromethyl)-1,3-thiazolidin-2-one
SMILESO=C1N[C@H](C(F)(F)F)CS1
InChIInChI=1S/C4H4F3NOS/c5-4(6,7)2-1-10-3(9)8-2/h2H,1H2,(H,8,9)/t2-/m0/s1
InChIKeyHLSHGLFQKALHDB-REOHCLBHSA-N
XLogP1.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.14
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(trifluoromethyl)-1,3-thiazolidin-2-one?
The IUPAC name of (4R)-4-(trifluoromethyl)-1,3-thiazolidin-2-one (CID 131089394) is (4R)-4-(trifluoromethyl)-1,3-thiazolidin-2-one.
What is the SMILES notation for (4R)-4-(trifluoromethyl)-1,3-thiazolidin-2-one?
The canonical SMILES for (4R)-4-(trifluoromethyl)-1,3-thiazolidin-2-one is O=C1N[C@H](C(F)(F)F)CS1.
What is the InChIKey of (4R)-4-(trifluoromethyl)-1,3-thiazolidin-2-one?
The InChIKey is HLSHGLFQKALHDB-REOHCLBHSA-N. The full InChI is InChI=1S/C4H4F3NOS/c5-4(6,7)2-1-10-3(9)8-2/h2H,1H2,(H,8,9)/t2-/m0/s1.
What are the key properties of (4R)-4-(trifluoromethyl)-1,3-thiazolidin-2-one?
(4R)-4-(trifluoromethyl)-1,3-thiazolidin-2-one has a molecular weight of 171.14 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(trifluoromethyl)-1,3-thiazolidin-2-one is sourced from PubChem (CID 131089394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).