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

C7H10F3NOS — CID 122331794

IUPAC3,3,3-trifluoro-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one
SMILESCC1SCCN1C(=O)CC(F)(F)F
InChIInChI=1S/C7H10F3NOS/c1-5-11(2-3-13-5)6(12)4-7(8,9)10/h5H,2-4H2,1H3
InChIKeyKUWGYTDBWKNYTC-UHFFFAOYSA-N
MW213.22 g/mol
LogP1.86
Rot. Bonds1

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

3,3,3-trifluoro-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 122331794) has the molecular formula C7H10F3NOS and a molecular weight of 213.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one
PubChem CID122331794
Molecular FormulaC7H10F3NOS
Molecular Weight213.22 g/mol
Exact Mass213.04
IUPAC Name3,3,3-trifluoro-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one
SMILESCC1SCCN1C(=O)CC(F)(F)F
InChIInChI=1S/C7H10F3NOS/c1-5-11(2-3-13-5)6(12)4-7(8,9)10/h5H,2-4H2,1H3
InChIKeyKUWGYTDBWKNYTC-UHFFFAOYSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 51.86
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-methyl-1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one (CID 122331794) is 3,3,3-trifluoro-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one is CC1SCCN1C(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is KUWGYTDBWKNYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NOS/c1-5-11(2-3-13-5)6(12)4-7(8,9)10/h5H,2-4H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one?
3,3,3-trifluoro-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one has a molecular weight of 213.22 g/mol, XLogP of 1.86, 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-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 122331794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).