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

C7H11F2NO3S — CID 103516135

IUPAC2,2-difluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESCC1CS(=O)(=O)CCN1C(=O)C(F)F
InChIInChI=1S/C7H11F2NO3S/c1-5-4-14(12,13)3-2-10(5)7(11)6(8)9/h5-6H,2-4H2,1H3
InChIKeyAKOBURPHAGPWDF-UHFFFAOYSA-N
MW227.23 g/mol
LogP-0.10
Rot. Bonds1

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

2,2-difluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone (PubChem CID 103516135) has the molecular formula C7H11F2NO3S and a molecular weight of 227.23 g/mol. Its IUPAC name is 2,2-difluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
PubChem CID103516135
Molecular FormulaC7H11F2NO3S
Molecular Weight227.23 g/mol
Exact Mass227.04
IUPAC Name2,2-difluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESCC1CS(=O)(=O)CCN1C(=O)C(F)F
InChIInChI=1S/C7H11F2NO3S/c1-5-4-14(12,13)3-2-10(5)7(11)6(8)9/h5-6H,2-4H2,1H3
InChIKeyAKOBURPHAGPWDF-UHFFFAOYSA-N
XLogP-0.10
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone (CID 103516135) is 2,2-difluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone is CC1CS(=O)(=O)CCN1C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The InChIKey is AKOBURPHAGPWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO3S/c1-5-4-14(12,13)3-2-10(5)7(11)6(8)9/h5-6H,2-4H2,1H3.
What are the key properties of 2,2-difluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
2,2-difluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone has a molecular weight of 227.23 g/mol, XLogP of -0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone is sourced from PubChem (CID 103516135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).