3,3,3-trifluoro-1-(1,3-thiazolidin-3-yl)propan-1-one

C6H8F3NOS — CID 122332143

IUPAC3,3,3-trifluoro-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESO=C(CC(F)(F)F)N1CCSC1
InChIInChI=1S/C6H8F3NOS/c7-6(8,9)3-5(11)10-1-2-12-4-10/h1-4H2
InChIKeyIRTDXWHLHBGPFH-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.47
Rot. Bonds1

About 3,3,3-trifluoro-1-(1,3-thiazolidin-3-yl)propan-1-one

3,3,3-trifluoro-1-(1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 122332143) has the molecular formula C6H8F3NOS and a molecular weight of 199.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(1,3-thiazolidin-3-yl)propan-1-one
PubChem CID122332143
Molecular FormulaC6H8F3NOS
Molecular Weight199.20 g/mol
Exact Mass199.03
IUPAC Name3,3,3-trifluoro-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESO=C(CC(F)(F)F)N1CCSC1
InChIInChI=1S/C6H8F3NOS/c7-6(8,9)3-5(11)10-1-2-12-4-10/h1-4H2
InChIKeyIRTDXWHLHBGPFH-UHFFFAOYSA-N
XLogP1.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-(1,3-thiazolidin-3-yl)propan-1-one (CID 122332143) is 3,3,3-trifluoro-1-(1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-(1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-(1,3-thiazolidin-3-yl)propan-1-one is O=C(CC(F)(F)F)N1CCSC1.
What is the InChIKey of 3,3,3-trifluoro-1-(1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is IRTDXWHLHBGPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NOS/c7-6(8,9)3-5(11)10-1-2-12-4-10/h1-4H2.
What are the key properties of 3,3,3-trifluoro-1-(1,3-thiazolidin-3-yl)propan-1-one?
3,3,3-trifluoro-1-(1,3-thiazolidin-3-yl)propan-1-one has a molecular weight of 199.20 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 122332143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).