2,2,2-trifluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone

C6H8F3NO2S — CID 63776491

IUPAC2,2,2-trifluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
SMILESO=C(N1CCS(=O)CC1)C(F)(F)F
InChIInChI=1S/C6H8F3NO2S/c7-6(8,9)5(11)10-1-3-13(12)4-2-10/h1-4H2
InChIKeyLSFFSEGFWYKXGS-UHFFFAOYSA-N
MW215.20 g/mol
LogP0.14
Rot. Bonds

About 2,2,2-trifluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone

2,2,2-trifluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone (PubChem CID 63776491) has the molecular formula C6H8F3NO2S and a molecular weight of 215.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
PubChem CID63776491
Molecular FormulaC6H8F3NO2S
Molecular Weight215.20 g/mol
Exact Mass215.02
IUPAC Name2,2,2-trifluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
SMILESO=C(N1CCS(=O)CC1)C(F)(F)F
InChIInChI=1S/C6H8F3NO2S/c7-6(8,9)5(11)10-1-3-13(12)4-2-10/h1-4H2
InChIKeyLSFFSEGFWYKXGS-UHFFFAOYSA-N
XLogP0.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone (CID 63776491) is 2,2,2-trifluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone is O=C(N1CCS(=O)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The InChIKey is LSFFSEGFWYKXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2S/c7-6(8,9)5(11)10-1-3-13(12)4-2-10/h1-4H2.
What are the key properties of 2,2,2-trifluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
2,2,2-trifluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone has a molecular weight of 215.20 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone is sourced from PubChem (CID 63776491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).