1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,3,3-tetrafluoropropan-1-one

C7H9F4NO3S — CID 103733485

IUPAC1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,3,3-tetrafluoropropan-1-one
SMILESO=C(N1CCS(=O)(=O)CC1)C(F)(F)C(F)F
InChIInChI=1S/C7H9F4NO3S/c8-5(9)7(10,11)6(13)12-1-3-16(14,15)4-2-12/h5H,1-4H2
InChIKeyQWPSSCBLWYJXRA-UHFFFAOYSA-N
MW263.21 g/mol
LogP0.14
Rot. Bonds2

About 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,3,3-tetrafluoropropan-1-one

1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,3,3-tetrafluoropropan-1-one (PubChem CID 103733485) has the molecular formula C7H9F4NO3S and a molecular weight of 263.21 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,3,3-tetrafluoropropan-1-one.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,3,3-tetrafluoropropan-1-one
PubChem CID103733485
Molecular FormulaC7H9F4NO3S
Molecular Weight263.21 g/mol
Exact Mass263.02
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,3,3-tetrafluoropropan-1-one
SMILESO=C(N1CCS(=O)(=O)CC1)C(F)(F)C(F)F
InChIInChI=1S/C7H9F4NO3S/c8-5(9)7(10,11)6(13)12-1-3-16(14,15)4-2-12/h5H,1-4H2
InChIKeyQWPSSCBLWYJXRA-UHFFFAOYSA-N
XLogP0.14
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,3,3-tetrafluoropropan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(4,4-Difluoropiperidin-1-yl)-3-methylsulfonylpropan-1-one
CID 131909577
1,1-Difluoro-2-oxo-2-thiomorpholin-4-ylethanesulfonic acid
CID 89037408
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one
CID 118531086
1-[4-(2,2-Difluoroethyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 49070293
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2,2,2-trifluoroethanone
CID 63262345
2,2,2-Trifluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 63776491
2,2,2-Trifluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
CID 66381932
3-Methylsulfonyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]propan-1-one
CID 72013667
N-methyl-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78883489
1-(4-Ethylsulfonylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 84384347
2,2,3,3,4,4,4-Heptafluoro-1-(4-(methylsulfonyl)piperidin-1-yl)butan-1-one
CID 90586506
2,2,3,3,3-Pentafluoro-1-(4-(methylsulfonyl)piperidin-1-yl)propan-1-one
CID 90586557

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,3,3-tetrafluoropropan-1-one?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,3,3-tetrafluoropropan-1-one (CID 103733485) is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,3,3-tetrafluoropropan-1-one.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,3,3-tetrafluoropropan-1-one?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,3,3-tetrafluoropropan-1-one is O=C(N1CCS(=O)(=O)CC1)C(F)(F)C(F)F.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,3,3-tetrafluoropropan-1-one?
The InChIKey is QWPSSCBLWYJXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4NO3S/c8-5(9)7(10,11)6(13)12-1-3-16(14,15)4-2-12/h5H,1-4H2.
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,3,3-tetrafluoropropan-1-one?
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,3,3-tetrafluoropropan-1-one has a molecular weight of 263.21 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,3,3-tetrafluoropropan-1-one is sourced from PubChem (CID 103733485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).