3,3,3-trifluoro-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one

C12H12F3NOS — CID 122329235

IUPAC3,3,3-trifluoro-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
SMILESO=C(CC(F)(F)F)N1CCSC1c1ccccc1
InChIInChI=1S/C12H12F3NOS/c13-12(14,15)8-10(17)16-6-7-18-11(16)9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKeyRIERJAOXPPOGPD-UHFFFAOYSA-N
MW275.29 g/mol
LogP3.21
Rot. Bonds2

About 3,3,3-trifluoro-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one

3,3,3-trifluoro-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 122329235) has the molecular formula C12H12F3NOS and a molecular weight of 275.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
PubChem CID122329235
Molecular FormulaC12H12F3NOS
Molecular Weight275.29 g/mol
Exact Mass275.06
IUPAC Name3,3,3-trifluoro-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
SMILESO=C(CC(F)(F)F)N1CCSC1c1ccccc1
InChIInChI=1S/C12H12F3NOS/c13-12(14,15)8-10(17)16-6-7-18-11(16)9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKeyRIERJAOXPPOGPD-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 53.21
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-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one (CID 122329235) is 3,3,3-trifluoro-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one is O=C(CC(F)(F)F)N1CCSC1c1ccccc1.
What is the InChIKey of 3,3,3-trifluoro-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is RIERJAOXPPOGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NOS/c13-12(14,15)8-10(17)16-6-7-18-11(16)9-4-2-1-3-5-9/h1-5,11H,6-8H2.
What are the key properties of 3,3,3-trifluoro-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one?
3,3,3-trifluoro-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one has a molecular weight of 275.29 g/mol, XLogP of 3.21, 2 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-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 122329235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).