2,2,2-trifluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone

C7H10F3NO3S — CID 103683496

IUPAC2,2,2-trifluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESCC1CS(=O)(=O)CCN1C(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3S/c1-5-4-15(13,14)3-2-11(5)6(12)7(8,9)10/h5H,2-4H2,1H3
InChIKeyGVFYUALPEWESAX-UHFFFAOYSA-N
MW245.22 g/mol
LogP0.19
Rot. Bonds

About 2,2,2-trifluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone

2,2,2-trifluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone (PubChem CID 103683496) has the molecular formula C7H10F3NO3S and a molecular weight of 245.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
PubChem CID103683496
Molecular FormulaC7H10F3NO3S
Molecular Weight245.22 g/mol
Exact Mass245.03
IUPAC Name2,2,2-trifluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESCC1CS(=O)(=O)CCN1C(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3S/c1-5-4-15(13,14)3-2-11(5)6(12)7(8,9)10/h5H,2-4H2,1H3
InChIKeyGVFYUALPEWESAX-UHFFFAOYSA-N
XLogP0.19
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone (CID 103683496) is 2,2,2-trifluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone is CC1CS(=O)(=O)CCN1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The InChIKey is GVFYUALPEWESAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3S/c1-5-4-15(13,14)3-2-11(5)6(12)7(8,9)10/h5H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
2,2,2-trifluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone has a molecular weight of 245.22 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone is sourced from PubChem (CID 103683496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).