1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoroethanone

C6H9F2NO3S — CID 103515351

IUPAC1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoroethanone
SMILESO=C(C(F)F)N1CCS(=O)(=O)CC1
InChIInChI=1S/C6H9F2NO3S/c7-5(8)6(10)9-1-3-13(11,12)4-2-9/h5H,1-4H2
InChIKeyQRFGEXRJOBYCOW-UHFFFAOYSA-N
MW213.20 g/mol
LogP-0.49
Rot. Bonds1

About 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoroethanone

1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoroethanone (PubChem CID 103515351) has the molecular formula C6H9F2NO3S and a molecular weight of 213.20 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoroethanone
PubChem CID103515351
Molecular FormulaC6H9F2NO3S
Molecular Weight213.20 g/mol
Exact Mass213.03
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoroethanone
SMILESO=C(C(F)F)N1CCS(=O)(=O)CC1
InChIInChI=1S/C6H9F2NO3S/c7-5(8)6(10)9-1-3-13(11,12)4-2-9/h5H,1-4H2
InChIKeyQRFGEXRJOBYCOW-UHFFFAOYSA-N
XLogP-0.49
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoroethanone?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoroethanone (CID 103515351) is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoroethanone?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoroethanone is O=C(C(F)F)N1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoroethanone?
The InChIKey is QRFGEXRJOBYCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO3S/c7-5(8)6(10)9-1-3-13(11,12)4-2-9/h5H,1-4H2.
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoroethanone?
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoroethanone has a molecular weight of 213.20 g/mol, XLogP of -0.49, 1 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-difluoroethanone is sourced from PubChem (CID 103515351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).